4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C16H20N4O — CID 163356170

IUPAC4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1ncccc1-c1cnc(NC2CCC(O)CC2)nc1
InChIInChI=1S/C16H20N4O/c1-11-15(3-2-8-17-11)12-9-18-16(19-10-12)20-13-4-6-14(21)7-5-13/h2-3,8-10,13-14,21H,4-7H2,1H3,(H,18,19,20)
InChIKeyPMDLTQGUJMHOLA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.56
Rot. Bonds3

About 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 163356170) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID163356170
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1ncccc1-c1cnc(NC2CCC(O)CC2)nc1
InChIInChI=1S/C16H20N4O/c1-11-15(3-2-8-17-11)12-9-18-16(19-10-12)20-13-4-6-14(21)7-5-13/h2-3,8-10,13-14,21H,4-7H2,1H3,(H,18,19,20)
InChIKeyPMDLTQGUJMHOLA-UHFFFAOYSA-N
XLogP2.56
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 134148336
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
N-cyclobutylpyrimidin-2-amine
CID 45080152
4-[(2-propan-2-yloxy-3-pyridinyl)amino]cyclohexan-1-ol
CID 106594487
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
4-[(4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 58548584
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-2-sulfonamide
CID 103299013
4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 116974949
4-N-tert-butyl-1-N-pyrimidin-2-ylcyclohexane-1,4-diamine
CID 155223125

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 163356170) is 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is Cc1ncccc1-c1cnc(NC2CCC(O)CC2)nc1.
What is the InChIKey of 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is PMDLTQGUJMHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-15(3-2-8-17-11)12-9-18-16(19-10-12)20-13-4-6-14(21)7-5-13/h2-3,8-10,13-14,21H,4-7H2,1H3,(H,18,19,20).
What are the key properties of 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 163356170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).