tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine

C121H196N30O10 — CID 160818809

IUPACtert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
SMILESCC(C)Nc1cccc(N2CCC(C)(O)CC2)n1.CC(C)Nc1cccc(N2CCC(O)C2)n1.CC(C)Nc1cccc(N2CCC(O)CC2)n1.CC(C)Nc1cccc(N2CCC[C@@H]2CO)n1.CC(C)Nc1cccc(OC2CN(C(=O)OC(C)(C)C)C2)n1.CC(C)Nc1nccc(C2CCCC2)n1.CC(C)Nc1nccc(C2CCCN2C(=O)OC(C)(C)C)n1.CC(C)Nc1nccc(CN2CCCC2)n1.Cc1cc(N2CCC(O)CC2)nc(NC(C)C)n1
InChIInChI=1S/C16H26N4O2.C16H25N3O3.C14H23N3O.C13H22N4O.2C13H21N3O.C12H20N4.C12H19N3O.C12H19N3/c1-11(2)18-14-17-9-8-12(19-14)13-7-6-10-20(13)15(21)22-16(3,4)5;1-11(2)17-13-7-6-8-14(18-13)21-12-9-19(10-12)15(20)22-16(3,4)5;1-11(2)15-12-5-4-6-13(16-12)17-9-7-14(3,18)8-10-17;1-9(2)14-13-15-10(3)8-12(16-13)17-6-4-11(18)5-7-17;1-10(2)14-12-6-3-7-13(15-12)16-8-4-5-11(16)9-17;1-10(2)14-12-4-3-5-13(15-12)16-8-6-11(17)7-9-16;1-10(2)14-12-13-6-5-11(15-12)9-16-7-3-4-8-16;1-9(2)13-11-4-3-5-12(14-11)15-7-6-10(16)8-15;1-9(2)14-12-13-8-7-11(15-12)10-5-3-4-6-10/h8-9,11,13H,6-7,10H2,1-5H3,(H,17,18,19);6-8,11-12H,9-10H2,1-5H3,(H,17,18);4-6,11,18H,7-10H2,1-3H3,(H,15,16);8-9,11,18H,4-7H2,1-3H3,(H,14,15,16);3,6-7,10-11,17H,4-5,8-9H2,1-2H3,(H,14,15);3-5,10-11,17H,6-9H2,1-2H3,(H,14,15);5-6,10H,3-4,7-9H2,1-2H3,(H,13,14,15);3-5,9-10,16H,6-8H2,1-2H3,(H,13,14);7-10H,3-6H2,1-2H3,(H,13,14,15)/t;;;;11-;;;;/m....1..../s1
InChIKeySFGKVIJPCDOKIC-GNXJVFDZSA-N
MW2231.10 g/mol
LogP20.13
Rot. Bonds30

About tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine

tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine (PubChem CID 160818809) has the molecular formula C121H196N30O10 and a molecular weight of 2231.10 g/mol. Its IUPAC name is tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Nametert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
PubChem CID160818809
Molecular FormulaC121H196N30O10
Molecular Weight2231.10 g/mol
Exact Mass2229.58
IUPAC Nametert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
SMILESCC(C)Nc1cccc(N2CCC(C)(O)CC2)n1.CC(C)Nc1cccc(N2CCC(O)C2)n1.CC(C)Nc1cccc(N2CCC(O)CC2)n1.CC(C)Nc1cccc(N2CCC[C@@H]2CO)n1.CC(C)Nc1cccc(OC2CN(C(=O)OC(C)(C)C)C2)n1.CC(C)Nc1nccc(C2CCCC2)n1.CC(C)Nc1nccc(C2CCCN2C(=O)OC(C)(C)C)n1.CC(C)Nc1nccc(CN2CCCC2)n1.Cc1cc(N2CCC(O)CC2)nc(NC(C)C)n1
InChIInChI=1S/C16H26N4O2.C16H25N3O3.C14H23N3O.C13H22N4O.2C13H21N3O.C12H20N4.C12H19N3O.C12H19N3/c1-11(2)18-14-17-9-8-12(19-14)13-7-6-10-20(13)15(21)22-16(3,4)5;1-11(2)17-13-7-6-8-14(18-13)21-12-9-19(10-12)15(20)22-16(3,4)5;1-11(2)15-12-5-4-6-13(16-12)17-9-7-14(3,18)8-10-17;1-9(2)14-13-15-10(3)8-12(16-13)17-6-4-11(18)5-7-17;1-10(2)14-12-6-3-7-13(15-12)16-8-4-5-11(16)9-17;1-10(2)14-12-4-3-5-13(15-12)16-8-6-11(17)7-9-16;1-10(2)14-12-13-6-5-11(15-12)9-16-7-3-4-8-16;1-9(2)13-11-4-3-5-12(14-11)15-7-6-10(16)8-15;1-9(2)14-12-13-8-7-11(15-12)10-5-3-4-6-10/h8-9,11,13H,6-7,10H2,1-5H3,(H,17,18,19);6-8,11-12H,9-10H2,1-5H3,(H,17,18);4-6,11,18H,7-10H2,1-3H3,(H,15,16);8-9,11,18H,4-7H2,1-3H3,(H,14,15,16);3,6-7,10-11,17H,4-5,8-9H2,1-2H3,(H,14,15);3-5,10-11,17H,6-9H2,1-2H3,(H,14,15);5-6,10H,3-4,7-9H2,1-2H3,(H,13,14,15);3-5,9-10,16H,6-8H2,1-2H3,(H,13,14);7-10H,3-6H2,1-2H3,(H,13,14,15)/t;;;;11-;;;;/m....1..../s1
InChIKeySFGKVIJPCDOKIC-GNXJVFDZSA-N
XLogP20.13
TPSA464.74 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002231.10
LogP ≤ 520.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Analyze tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine (CID 160818809) is tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine is CC(C)Nc1cccc(N2CCC(C)(O)CC2)n1.CC(C)Nc1cccc(N2CCC(O)C2)n1.CC(C)Nc1cccc(N2CCC(O)CC2)n1.CC(C)Nc1cccc(N2CCC[C@@H]2CO)n1.CC(C)Nc1cccc(OC2CN(C(=O)OC(C)(C)C)C2)n1.CC(C)Nc1nccc(C2CCCC2)n1.CC(C)Nc1nccc(C2CCCN2C(=O)OC(C)(C)C)n1.CC(C)Nc1nccc(CN2CCCC2)n1.Cc1cc(N2CCC(O)CC2)nc(NC(C)C)n1.
What is the InChIKey of tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is SFGKVIJPCDOKIC-GNXJVFDZSA-N. The full InChI is InChI=1S/C16H26N4O2.C16H25N3O3.C14H23N3O.C13H22N4O.2C13H21N3O.C12H20N4.C12H19N3O.C12H19N3/c1-11(2)18-14-17-9-8-12(19-14)13-7-6-10-20(13)15(21)22-16(3,4)5;1-11(2)17-13-7-6-8-14(18-13)21-12-9-19(10-12)15(20)22-16(3,4)5;1-11(2)15-12-5-4-6-13(16-12)17-9-7-14(3,18)8-10-17;1-9(2)14-13-15-10(3)8-12(16-13)17-6-4-11(18)5-7-17;1-10(2)14-12-6-3-7-13(15-12)16-8-4-5-11(16)9-17;1-10(2)14-12-4-3-5-13(15-12)16-8-6-11(17)7-9-16;1-10(2)14-12-13-6-5-11(15-12)9-16-7-3-4-8-16;1-9(2)13-11-4-3-5-12(14-11)15-7-6-10(16)8-15;1-9(2)14-12-13-8-7-11(15-12)10-5-3-4-6-10/h8-9,11,13H,6-7,10H2,1-5H3,(H,17,18,19);6-8,11-12H,9-10H2,1-5H3,(H,17,18);4-6,11,18H,7-10H2,1-3H3,(H,15,16);8-9,11,18H,4-7H2,1-3H3,(H,14,15,16);3,6-7,10-11,17H,4-5,8-9H2,1-2H3,(H,14,15);3-5,10-11,17H,6-9H2,1-2H3,(H,14,15);5-6,10H,3-4,7-9H2,1-2H3,(H,13,14,15);3-5,9-10,16H,6-8H2,1-2H3,(H,13,14);7-10H,3-6H2,1-2H3,(H,13,14,15)/t;;;;11-;;;;/m....1..../s1.
What are the key properties of tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 2231.10 g/mol, XLogP of 20.13, 30 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(propan-2-ylamino)-2-pyridinyl]oxy]azetidine-1-carboxylate;tert-butyl 2-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-carboxylate;4-cyclopentyl-N-propan-2-ylpyrimidin-2-amine;4-methyl-1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]piperidin-4-ol;1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-ol;[(2R)-1-[6-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-2-yl]methanol;N-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 160818809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).