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

C14H23N3O3 — CID 115355176

IUPAC1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1cc(OC)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C14H23N3O3/c1-10-5-4-6-14(18,8-10)9-15-13-16-11(19-2)7-12(17-13)20-3/h7,10,18H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyMZDXMJQLPNQVSY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.85
Rot. Bonds5

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

1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 115355176) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID115355176
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1cc(OC)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C14H23N3O3/c1-10-5-4-6-14(18,8-10)9-15-13-16-11(19-2)7-12(17-13)20-3/h7,10,18H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyMZDXMJQLPNQVSY-UHFFFAOYSA-N
XLogP1.85
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80909785
1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80909130
1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 102758689
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63963822
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 115355130
1-[[(6-ethoxy-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118858
[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 115355176) is 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is COc1cc(OC)nc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is MZDXMJQLPNQVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-5-4-6-14(18,8-10)9-15-13-16-11(19-2)7-12(17-13)20-3/h7,10,18H,4-6,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 115355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).