1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

C14H23N3O — CID 63962757

IUPAC1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCc1cc(C)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-10-5-4-6-14(18,8-10)9-15-13-16-11(2)7-12(3)17-13/h7,10,18H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyQLXBLORDMBGSOS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.45
Rot. Bonds3

About 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 63962757) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID63962757
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCc1cc(C)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-10-5-4-6-14(18,8-10)9-15-13-16-11(2)7-12(3)17-13/h7,10,18H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyQLXBLORDMBGSOS-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 63962757) is 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is Cc1cc(C)nc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QLXBLORDMBGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-5-4-6-14(18,8-10)9-15-13-16-11(2)7-12(3)17-13/h7,10,18H,4-6,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63962757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).