6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine

C16H18ClF2N3 — CID 158994617

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
SMILESCC1=CC=C(c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)C1
InChIInChI=1S/C16H18ClF2N3/c1-10-2-3-11(8-10)15-21-13(17)9-14(22-15)20-12-4-6-16(18,19)7-5-12/h2-3,9,12H,4-8H2,1H3,(H,20,21,22)
InChIKeyZUWVMZWNBSFQGA-UHFFFAOYSA-N
MW325.79 g/mol
LogP4.85
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine (PubChem CID 158994617) has the molecular formula C16H18ClF2N3 and a molecular weight of 325.79 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
PubChem CID158994617
Molecular FormulaC16H18ClF2N3
Molecular Weight325.79 g/mol
Exact Mass325.12
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
SMILESCC1=CC=C(c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)C1
InChIInChI=1S/C16H18ClF2N3/c1-10-2-3-11(8-10)15-21-13(17)9-14(22-15)20-12-4-6-16(18,19)7-5-12/h2-3,9,12H,4-8H2,1H3,(H,20,21,22)
InChIKeyZUWVMZWNBSFQGA-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine with MolForge

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Related Compounds

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-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 139300814
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
1-[4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]-4-hydroxypiperidin-1-yl]ethanone
CID 139300068
6-chloro-4-N-(4,4-dimethylcyclohexyl)pyrimidine-2,4-diamine
CID 79033810
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
6-chloro-N-(4,4-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546831
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
4-[(4,4-difluorocyclohexyl)amino]-6-(oxetan-3-ylamino)pyrimidine-2-carbaldehyde
CID 162606808
6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139300487

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine (CID 158994617) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine is CC1=CC=C(c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)C1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
The InChIKey is ZUWVMZWNBSFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3/c1-10-2-3-11(8-10)15-21-13(17)9-14(22-15)20-12-4-6-16(18,19)7-5-12/h2-3,9,12H,4-8H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine has a molecular weight of 325.79 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 158994617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).