N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine

C227H310FN47O15 — CID 160770543

IUPACN-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1ccc(C(=O)NCC2(O)CCC2)nc1.CC(C)c1cnc(=O)[nH]c1.CC(C)c1cnc(C(=O)NCC2CCC2)nc1.CC(C)c1cnc(C(=O)NCCO)nc1.CC(C)c1cnc(C2CC2)nc1.CC(C)c1cnc(COC=O)nc1.CC(C)c1cnc(F)nc1.CC(C)c1cnc(N2CCCC2)nc1.CC(C)c1cncc(O)c1.CC(C)c1cncnc1.COC(=O)c1cc(C)c(C(C)C)cn1.COc1ncc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.[C-]#[N+]c1cc(C)c(C(C)C)cn1.[C-]#[N+]c1cc(C)c(C(C)C)cn1.[C-]#[N+]c1cc(OC)c(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)c(OC)n1.[C-]#[N+]c1ccc(C(C)C)cn1.[C-]#[N+]c1cnc(C(C)C)c(OC)c1.[C-]#[N+]c1ncc(C(C)C)cn1
InChIInChI=1S/C14H20N2O2.C13H19N3O.C11H17N3.C11H15NO2.C10H15N3O2.3C10H12N2O.C10H14N2.2C10H12N2.2C10H15N.C9H12N2O2.C9H10N2.C9H13N.C8H9N3.C8H12N2O.2C8H12N2.C8H11NO.C7H9FN2.C7H10N2O.C7H10N2/c1-10(2)11-4-5-12(15-8-11)13(17)16-9-14(18)6-3-7-14;1-9(2)11-7-14-12(15-8-11)13(17)16-6-10-4-3-5-10;1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;1-7(2)9-6-12-10(5-8(9)3)11(13)14-4;1-7(2)8-5-12-9(13-6-8)10(15)11-3-4-14;1-7(2)8-6-12-10(11-3)5-9(8)13-4;1-7(2)10-9(13-4)5-8(11-3)6-12-10;1-7(2)8-5-6-9(11-3)12-10(8)13-4;1-7(2)9-5-11-10(12-6-9)8-3-4-8;2*1-7(2)9-6-12-10(11-4)5-8(9)3;1-7(2)10-5-8(3)9(4)11-6-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)8-3-10-9(11-4-8)5-13-6-12;1-7(2)8-4-5-9(10-3)11-6-8;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;2*1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-8(10)5-9-4-7;1-5(2)6-3-9-7(8)10-4-6;1-5(2)6-3-8-7(10)9-4-6;1-6(2)7-3-8-5-9-4-7/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,16,17);7-10H,3-6H2,1-2H3,(H,16,17);7-9H,3-6H2,1-2H3;5-7H,1-4H3;5-7,14H,3-4H2,1-2H3,(H,11,15);3*5-7H,1-2,4H3;5-8H,3-4H2,1-2H3;2*5-7H,1-3H3;2*5-7H,1-4H3;3-4,6-7H,5H2,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-6H,1-2H3;4-6H,1-3H3;2*4-6H,1-3H3;3-6,10H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3
InChIKeyRZGHHUVTIZMZSI-UHFFFAOYSA-N
MW3956.29 g/mol
LogP51.61
Rot. Bonds43

About N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine

N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 160770543) has the molecular formula C227H310FN47O15 and a molecular weight of 3956.29 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
PubChem CID160770543
Molecular FormulaC227H310FN47O15
Molecular Weight3956.29 g/mol
Exact Mass3953.49
IUPAC NameN-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1ccc(C(=O)NCC2(O)CCC2)nc1.CC(C)c1cnc(=O)[nH]c1.CC(C)c1cnc(C(=O)NCC2CCC2)nc1.CC(C)c1cnc(C(=O)NCCO)nc1.CC(C)c1cnc(C2CC2)nc1.CC(C)c1cnc(COC=O)nc1.CC(C)c1cnc(F)nc1.CC(C)c1cnc(N2CCCC2)nc1.CC(C)c1cncc(O)c1.CC(C)c1cncnc1.COC(=O)c1cc(C)c(C(C)C)cn1.COc1ncc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.[C-]#[N+]c1cc(C)c(C(C)C)cn1.[C-]#[N+]c1cc(C)c(C(C)C)cn1.[C-]#[N+]c1cc(OC)c(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)c(OC)n1.[C-]#[N+]c1ccc(C(C)C)cn1.[C-]#[N+]c1cnc(C(C)C)c(OC)c1.[C-]#[N+]c1ncc(C(C)C)cn1
InChIInChI=1S/C14H20N2O2.C13H19N3O.C11H17N3.C11H15NO2.C10H15N3O2.3C10H12N2O.C10H14N2.2C10H12N2.2C10H15N.C9H12N2O2.C9H10N2.C9H13N.C8H9N3.C8H12N2O.2C8H12N2.C8H11NO.C7H9FN2.C7H10N2O.C7H10N2/c1-10(2)11-4-5-12(15-8-11)13(17)16-9-14(18)6-3-7-14;1-9(2)11-7-14-12(15-8-11)13(17)16-6-10-4-3-5-10;1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;1-7(2)9-6-12-10(5-8(9)3)11(13)14-4;1-7(2)8-5-12-9(13-6-8)10(15)11-3-4-14;1-7(2)8-6-12-10(11-3)5-9(8)13-4;1-7(2)10-9(13-4)5-8(11-3)6-12-10;1-7(2)8-5-6-9(11-3)12-10(8)13-4;1-7(2)9-5-11-10(12-6-9)8-3-4-8;2*1-7(2)9-6-12-10(11-4)5-8(9)3;1-7(2)10-5-8(3)9(4)11-6-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)8-3-10-9(11-4-8)5-13-6-12;1-7(2)8-4-5-9(10-3)11-6-8;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;2*1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-8(10)5-9-4-7;1-5(2)6-3-9-7(8)10-4-6;1-5(2)6-3-8-7(10)9-4-6;1-6(2)7-3-8-5-9-4-7/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,16,17);7-10H,3-6H2,1-2H3,(H,16,17);7-9H,3-6H2,1-2H3;5-7H,1-4H3;5-7,14H,3-4H2,1-2H3,(H,11,15);3*5-7H,1-2,4H3;5-8H,3-4H2,1-2H3;2*5-7H,1-3H3;2*5-7H,1-4H3;3-4,6-7H,5H2,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-6H,1-2H3;4-6H,1-3H3;2*4-6H,1-3H3;3-6,10H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3
InChIKeyRZGHHUVTIZMZSI-UHFFFAOYSA-N
XLogP51.61
TPSA755.28 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds43
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003956.29
LogP ≤ 551.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine (CID 160770543) is N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine is CC(C)c1ccc(C(=O)NCC2(O)CCC2)nc1.CC(C)c1cnc(=O)[nH]c1.CC(C)c1cnc(C(=O)NCC2CCC2)nc1.CC(C)c1cnc(C(=O)NCCO)nc1.CC(C)c1cnc(C2CC2)nc1.CC(C)c1cnc(COC=O)nc1.CC(C)c1cnc(F)nc1.CC(C)c1cnc(N2CCCC2)nc1.CC(C)c1cncc(O)c1.CC(C)c1cncnc1.COC(=O)c1cc(C)c(C(C)C)cn1.COc1ncc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.[C-]#[N+]c1cc(C)c(C(C)C)cn1.[C-]#[N+]c1cc(C)c(C(C)C)cn1.[C-]#[N+]c1cc(OC)c(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)c(OC)n1.[C-]#[N+]c1ccc(C(C)C)cn1.[C-]#[N+]c1cnc(C(C)C)c(OC)c1.[C-]#[N+]c1ncc(C(C)C)cn1.
What is the InChIKey of N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is RZGHHUVTIZMZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C13H19N3O.C11H17N3.C11H15NO2.C10H15N3O2.3C10H12N2O.C10H14N2.2C10H12N2.2C10H15N.C9H12N2O2.C9H10N2.C9H13N.C8H9N3.C8H12N2O.2C8H12N2.C8H11NO.C7H9FN2.C7H10N2O.C7H10N2/c1-10(2)11-4-5-12(15-8-11)13(17)16-9-14(18)6-3-7-14;1-9(2)11-7-14-12(15-8-11)13(17)16-6-10-4-3-5-10;1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;1-7(2)9-6-12-10(5-8(9)3)11(13)14-4;1-7(2)8-5-12-9(13-6-8)10(15)11-3-4-14;1-7(2)8-6-12-10(11-3)5-9(8)13-4;1-7(2)10-9(13-4)5-8(11-3)6-12-10;1-7(2)8-5-6-9(11-3)12-10(8)13-4;1-7(2)9-5-11-10(12-6-9)8-3-4-8;2*1-7(2)9-6-12-10(11-4)5-8(9)3;1-7(2)10-5-8(3)9(4)11-6-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)8-3-10-9(11-4-8)5-13-6-12;1-7(2)8-4-5-9(10-3)11-6-8;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;2*1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-8(10)5-9-4-7;1-5(2)6-3-9-7(8)10-4-6;1-5(2)6-3-8-7(10)9-4-6;1-6(2)7-3-8-5-9-4-7/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,16,17);7-10H,3-6H2,1-2H3,(H,16,17);7-9H,3-6H2,1-2H3;5-7H,1-4H3;5-7,14H,3-4H2,1-2H3,(H,11,15);3*5-7H,1-2,4H3;5-8H,3-4H2,1-2H3;2*5-7H,1-3H3;2*5-7H,1-4H3;3-4,6-7H,5H2,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-6H,1-2H3;4-6H,1-3H3;2*4-6H,1-3H3;3-6,10H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 3956.29 g/mol, XLogP of 51.61, 43 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-cyclopropyl-5-propan-2-ylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyrimidine;N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-ylpyridine-2-carboxamide;N-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2-carboxamide;2-isocyano-4-methoxy-5-propan-2-ylpyridine;5-isocyano-3-methoxy-2-propan-2-ylpyridine;6-isocyano-2-methoxy-3-propan-2-ylpyridine;bis(2-isocyano-4-methyl-5-propan-2-ylpyridine);2-isocyano-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyrimidine);5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrimidin-2-one;(5-propan-2-ylpyrimidin-2-yl)methyl formate;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 160770543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).