[4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol

C17H25N5O — CID 166635713

IUPAC[4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCc1cc(NC2CCC(CO)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O/c1-11-9-16(19-15-6-4-14(10-23)5-7-15)20-17(18-11)22-13(3)8-12(2)21-22/h8-9,14-15,23H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyOGMHGBKJNAEHLF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.55
Rot. Bonds4

About [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol

[4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 166635713) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID166635713
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCc1cc(NC2CCC(CO)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O/c1-11-9-16(19-15-6-4-14(10-23)5-7-15)20-17(18-11)22-13(3)8-12(2)21-22/h8-9,14-15,23H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyOGMHGBKJNAEHLF-UHFFFAOYSA-N
XLogP2.55
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol (CID 166635713) is [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol is Cc1cc(NC2CCC(CO)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is OGMHGBKJNAEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11-9-16(19-15-6-4-14(10-23)5-7-15)20-17(18-11)22-13(3)8-12(2)21-22/h8-9,14-15,23H,4-7,10H2,1-3H3,(H,18,19,20).
What are the key properties of [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol?
[4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 315.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 166635713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).