N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

C15H19F2N5O — CID 139319894

IUPACN-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1
InChIInChI=1S/C15H19F2N5O/c1-10-5-8-22(21-10)14-19-12(9-13(20-14)23-2)18-11-3-6-15(16,17)7-4-11/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyLVHNOMHWQLVGHR-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.97
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 139319894) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID139319894
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC NameN-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1
InChIInChI=1S/C15H19F2N5O/c1-10-5-8-22(21-10)14-19-12(9-13(20-14)23-2)18-11-3-6-15(16,17)7-4-11/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyLVHNOMHWQLVGHR-UHFFFAOYSA-N
XLogP2.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (CID 139319894) is N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is LVHNOMHWQLVGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-10-5-8-22(21-10)14-19-12(9-13(20-14)23-2)18-11-3-6-15(16,17)7-4-11/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 323.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 139319894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).