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

C16H17ClF2N4 — CID 139300814

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H17ClF2N4/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/h2-4,9,11H,5-8H2,1H3,(H,21,22,23)
InChIKeyHYSRGYRUPVPYID-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.49
Rot. Bonds3

About 6-chloro-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 (PubChem CID 139300814) has the molecular formula C16H17ClF2N4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 6-chloro-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
PubChem CID139300814
Molecular FormulaC16H17ClF2N4
Molecular Weight338.79 g/mol
Exact Mass338.11
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H17ClF2N4/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/h2-4,9,11H,5-8H2,1H3,(H,21,22,23)
InChIKeyHYSRGYRUPVPYID-UHFFFAOYSA-N
XLogP4.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
CID 158994617
6-chloro-2-cyclopenta-1,3-dien-1-yl-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 160712949
6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine
CID 139300555
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 139300624
6-(6-chloro-2-pyridinyl)-4-N-(4,4-difluorocyclohexyl)-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 122440806
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1-fluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123824132
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 139300154
1-[4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]-4-hydroxypiperidin-1-yl]ethanone
CID 139300068
6-chloro-N-(4,4-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546831
6-cyclopropyl-N-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55221139
4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118

Frequently Asked Questions

What is the IUPAC name of 6-chloro-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 (CID 139300814) is 6-chloro-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?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1cccc(-c2nc(Cl)cc(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?
The InChIKey is HYSRGYRUPVPYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4/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/h2-4,9,11H,5-8H2,1H3,(H,21,22,23).
What are the key properties of 6-chloro-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 has a molecular weight of 338.79 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 139300814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).