6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine

C32H35ClF4N8 — CID 158556186

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cccc(-c2nccc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H17ClF2N4.C16H18F2N4/c1-10-3-2-4-12(20-10)15-22-13(17)9-14(23-15)21-11-5-7-16(18,19)8-6-11;1-11-3-2-4-13(20-11)15-19-10-7-14(22-15)21-12-5-8-16(17,18)9-6-12/h2-4,9,11H,5-8H2,1H3,(H,21,22,23);2-4,7,10,12H,5-6,8-9H2,1H3,(H,19,21,22)
InChIKeyHQIBKPKOSHZYQR-UHFFFAOYSA-N
MW643.13 g/mol
LogP8.33
Rot. Bonds6

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 158556186) has the molecular formula C32H35ClF4N8 and a molecular weight of 643.13 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID158556186
Molecular FormulaC32H35ClF4N8
Molecular Weight643.13 g/mol
Exact Mass642.26
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cccc(-c2nccc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H17ClF2N4.C16H18F2N4/c1-10-3-2-4-12(20-10)15-22-13(17)9-14(23-15)21-11-5-7-16(18,19)8-6-11;1-11-3-2-4-13(20-11)15-19-10-7-14(22-15)21-12-5-8-16(17,18)9-6-12/h2-4,9,11H,5-8H2,1H3,(H,21,22,23);2-4,7,10,12H,5-6,8-9H2,1H3,(H,19,21,22)
InChIKeyHQIBKPKOSHZYQR-UHFFFAOYSA-N
XLogP8.33
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.13
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine (CID 158556186) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1cccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cccc(-c2nccc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is HQIBKPKOSHZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4.C16H18F2N4/c1-10-3-2-4-12(20-10)15-22-13(17)9-14(23-15)21-11-5-7-16(18,19)8-6-11;1-11-3-2-4-13(20-11)15-19-10-7-14(22-15)21-12-5-8-16(17,18)9-6-12/h2-4,9,11H,5-8H2,1H3,(H,21,22,23);2-4,7,10,12H,5-6,8-9H2,1H3,(H,19,21,22).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 643.13 g/mol, XLogP of 8.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 158556186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).