2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine

C163H241Cl3F7N21O2 — CID 160540226

IUPAC2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine
SMILESCC(C)c1cc(C(C)C)c(Cl)cn1.CC(C)c1cc(C(C)C)c(Cl)cn1.CC(C)c1cc(C(C)C)c(F)cn1.CC(C)c1cc(C(C)C)c(F)cn1.CC(C)c1cc(C(C)C)c(OC(F)F)cn1.CC(C)c1cc(C(C)C)nc(-c2cnc(C(F)(F)F)nc2)n1.CC(C)c1cc(C(C)C)nc(C2CC2)n1.CC(C)c1cc(C(C)C)nc(N2CCC2)n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(Cl)nc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.COc1cnc(C(C)C)cc1C(C)C
InChIInChI=1S/C15H17F3N4.C13H21N3.C13H20N2.C12H17F2NO.C12H19NO.3C11H16ClN.2C11H16FN.3C11H17N.C10H16N2/c1-8(2)11-5-12(9(3)4)22-13(21-11)10-6-19-14(20-7-10)15(16,17)18;1-9(2)11-8-12(10(3)4)15-13(14-11)16-6-5-7-16;1-8(2)11-7-12(9(3)4)15-13(14-11)10-5-6-10;1-7(2)9-5-10(8(3)4)15-6-11(9)16-12(13)14;1-8(2)10-6-11(9(3)4)13-7-12(10)14-5;2*1-7(2)9-5-11(8(3)4)13-6-10(9)12;1-7(2)9-5-10(8(3)4)13-11(12)6-9;2*1-7(2)9-5-11(8(3)4)13-6-10(9)12;3*1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9/h5-9H,1-4H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;5-8,12H,1-4H3;6-9H,1-5H3;5*5-8H,1-4H3;3*5-9H,1-4H3;5-8H,1-4H3
InChIKeyQWRLZDFTQQBOOG-UHFFFAOYSA-N
MW2766.21 g/mol
LogP49.59
Rot. Bonds34

About 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine

2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine (PubChem CID 160540226) has the molecular formula C163H241Cl3F7N21O2 and a molecular weight of 2766.21 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine
PubChem CID160540226
Molecular FormulaC163H241Cl3F7N21O2
Molecular Weight2766.21 g/mol
Exact Mass2762.84
IUPAC Name2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine
SMILESCC(C)c1cc(C(C)C)c(Cl)cn1.CC(C)c1cc(C(C)C)c(Cl)cn1.CC(C)c1cc(C(C)C)c(F)cn1.CC(C)c1cc(C(C)C)c(F)cn1.CC(C)c1cc(C(C)C)c(OC(F)F)cn1.CC(C)c1cc(C(C)C)nc(-c2cnc(C(F)(F)F)nc2)n1.CC(C)c1cc(C(C)C)nc(C2CC2)n1.CC(C)c1cc(C(C)C)nc(N2CCC2)n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(Cl)nc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.COc1cnc(C(C)C)cc1C(C)C
InChIInChI=1S/C15H17F3N4.C13H21N3.C13H20N2.C12H17F2NO.C12H19NO.3C11H16ClN.2C11H16FN.3C11H17N.C10H16N2/c1-8(2)11-5-12(9(3)4)22-13(21-11)10-6-19-14(20-7-10)15(16,17)18;1-9(2)11-8-12(10(3)4)15-13(14-11)16-6-5-7-16;1-8(2)11-7-12(9(3)4)15-13(14-11)10-5-6-10;1-7(2)9-5-10(8(3)4)15-6-11(9)16-12(13)14;1-8(2)10-6-11(9(3)4)13-7-12(10)14-5;2*1-7(2)9-5-11(8(3)4)13-6-10(9)12;1-7(2)9-5-10(8(3)4)13-11(12)6-9;2*1-7(2)9-5-11(8(3)4)13-6-10(9)12;3*1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9/h5-9H,1-4H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;5-8,12H,1-4H3;6-9H,1-5H3;5*5-8H,1-4H3;3*5-9H,1-4H3;5-8H,1-4H3
InChIKeyQWRLZDFTQQBOOG-UHFFFAOYSA-N
XLogP49.59
TPSA279.50 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002766.21
LogP ≤ 549.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine?
The IUPAC name of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine (CID 160540226) is 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine?
The canonical SMILES for 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine is CC(C)c1cc(C(C)C)c(Cl)cn1.CC(C)c1cc(C(C)C)c(Cl)cn1.CC(C)c1cc(C(C)C)c(F)cn1.CC(C)c1cc(C(C)C)c(F)cn1.CC(C)c1cc(C(C)C)c(OC(F)F)cn1.CC(C)c1cc(C(C)C)nc(-c2cnc(C(F)(F)F)nc2)n1.CC(C)c1cc(C(C)C)nc(C2CC2)n1.CC(C)c1cc(C(C)C)nc(N2CCC2)n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(Cl)nc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.COc1cnc(C(C)C)cc1C(C)C.
What is the InChIKey of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine?
The InChIKey is QWRLZDFTQQBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4.C13H21N3.C13H20N2.C12H17F2NO.C12H19NO.3C11H16ClN.2C11H16FN.3C11H17N.C10H16N2/c1-8(2)11-5-12(9(3)4)22-13(21-11)10-6-19-14(20-7-10)15(16,17)18;1-9(2)11-8-12(10(3)4)15-13(14-11)16-6-5-7-16;1-8(2)11-7-12(9(3)4)15-13(14-11)10-5-6-10;1-7(2)9-5-10(8(3)4)15-6-11(9)16-12(13)14;1-8(2)10-6-11(9(3)4)13-7-12(10)14-5;2*1-7(2)9-5-11(8(3)4)13-6-10(9)12;1-7(2)9-5-10(8(3)4)13-11(12)6-9;2*1-7(2)9-5-11(8(3)4)13-6-10(9)12;3*1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9/h5-9H,1-4H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;5-8,12H,1-4H3;6-9H,1-5H3;5*5-8H,1-4H3;3*5-9H,1-4H3;5-8H,1-4H3.
What are the key properties of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine?
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine has a molecular weight of 2766.21 g/mol, XLogP of 49.59, 34 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine;2-chloro-4,6-di(propan-2-yl)pyridine;bis(5-chloro-2,4-di(propan-2-yl)pyridine);2-cyclopropyl-4,6-di(propan-2-yl)pyrimidine;5-(difluoromethoxy)-2,4-di(propan-2-yl)pyridine;tris(2,4-di(propan-2-yl)pyridine);4,6-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;bis(5-fluoro-2,4-di(propan-2-yl)pyridine);5-methoxy-2,4-di(propan-2-yl)pyridine is sourced from PubChem (CID 160540226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).