[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol

C15H19F2N5O — CID 139300566

IUPAC[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol
SMILESCc1ccn(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H19F2N5O/c1-10-4-7-22(21-10)14-19-12(9-23)8-13(20-14)18-11-2-5-15(16,17)6-3-11/h4,7-8,11,23H,2-3,5-6,9H2,1H3,(H,18,19,20)
InChIKeyLGVKXWXNVLGIPL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.45
Rot. Bonds4

About [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol

[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol (PubChem CID 139300566) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol
PubChem CID139300566
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol
SMILESCc1ccn(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H19F2N5O/c1-10-4-7-22(21-10)14-19-12(9-23)8-13(20-14)18-11-2-5-15(16,17)6-3-11/h4,7-8,11,23H,2-3,5-6,9H2,1H3,(H,18,19,20)
InChIKeyLGVKXWXNVLGIPL-UHFFFAOYSA-N
XLogP2.45
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol (CID 139300566) is [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol is Cc1ccn(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol?
The InChIKey is LGVKXWXNVLGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-10-4-7-22(21-10)14-19-12(9-23)8-13(20-14)18-11-2-5-15(16,17)6-3-11/h4,7-8,11,23H,2-3,5-6,9H2,1H3,(H,18,19,20).
What are the key properties of [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol?
[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol has a molecular weight of 323.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 139300566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).