4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol

C12H19N3O — CID 116978157

IUPAC4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cnc(N(C)C2CCC(O)CC2)nc1
InChIInChI=1S/C12H19N3O/c1-9-7-13-12(14-8-9)15(2)10-3-5-11(16)6-4-10/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyZKYOPBKBMHXCCM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds2

About 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 116978157) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID116978157
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cnc(N(C)C2CCC(O)CC2)nc1
InChIInChI=1S/C12H19N3O/c1-9-7-13-12(14-8-9)15(2)10-3-5-11(16)6-4-10/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyZKYOPBKBMHXCCM-UHFFFAOYSA-N
XLogP1.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 116978157) is 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol is Cc1cnc(N(C)C2CCC(O)CC2)nc1.
What is the InChIKey of 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is ZKYOPBKBMHXCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-13-12(14-8-9)15(2)10-3-5-11(16)6-4-10/h7-8,10-11,16H,3-6H2,1-2H3.
What are the key properties of 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 116978157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).