6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine

C14H14ClF2N3O — CID 139300555

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-c3ccco3)n2)CC1
InChIInChI=1S/C14H14ClF2N3O/c15-11-8-12(18-9-3-5-14(16,17)6-4-9)20-13(19-11)10-2-1-7-21-10/h1-2,7-9H,3-6H2,(H,18,19,20)
InChIKeyLSOGZHIUQKBJBI-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.38
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine (PubChem CID 139300555) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine
PubChem CID139300555
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-c3ccco3)n2)CC1
InChIInChI=1S/C14H14ClF2N3O/c15-11-8-12(18-9-3-5-14(16,17)6-4-9)20-13(19-11)10-2-1-7-21-10/h1-2,7-9H,3-6H2,(H,18,19,20)
InChIKeyLSOGZHIUQKBJBI-UHFFFAOYSA-N
XLogP4.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine (CID 139300555) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine is FC1(F)CCC(Nc2cc(Cl)nc(-c3ccco3)n2)CC1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine?
The InChIKey is LSOGZHIUQKBJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c15-11-8-12(18-9-3-5-14(16,17)6-4-9)20-13(19-11)10-2-1-7-21-10/h1-2,7-9H,3-6H2,(H,18,19,20).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine has a molecular weight of 313.74 g/mol, XLogP of 4.38, 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-(furan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).