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

C16H23N5O — CID 166627647

IUPAC4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H23N5O/c1-10-9-15(18-13-4-6-14(22)7-5-13)19-16(17-10)21-12(3)8-11(2)20-21/h8-9,13-14,22H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyPYSDPLYCBSWWCT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds3

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

4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 166627647) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID166627647
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H23N5O/c1-10-9-15(18-13-4-6-14(22)7-5-13)19-16(17-10)21-12(3)8-11(2)20-21/h8-9,13-14,22H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyPYSDPLYCBSWWCT-UHFFFAOYSA-N
XLogP2.30
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
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]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 166627647) is 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cc(NC2CCC(O)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is PYSDPLYCBSWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10-9-15(18-13-4-6-14(22)7-5-13)19-16(17-10)21-12(3)8-11(2)20-21/h8-9,13-14,22H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.30, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 166627647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).