1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol

C13H22N4O — CID 107409067

IUPAC1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCc1nc(N)c(C)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-9-11(14)15-10(2)16-12(9)17-7-4-5-13(3,18)6-8-17/h18H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyUMCOJCSXIQFTCR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.42
Rot. Bonds1

About 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol

1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107409067) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107409067
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCc1nc(N)c(C)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-9-11(14)15-10(2)16-12(9)17-7-4-5-13(3,18)6-8-17/h18H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyUMCOJCSXIQFTCR-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-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-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409073
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108410
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819
1-(6-amino-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108883
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409163
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
1-(3-amino-1,2,4-thiadiazol-5-yl)-4-methylazepan-4-ol
CID 107408949
4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione
CID 80856356
1-(6-amino-2,5-dimethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80823336
2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
CID 107408996

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol (CID 107409067) is 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol is Cc1nc(N)c(C)c(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is UMCOJCSXIQFTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-11(14)15-10(2)16-12(9)17-7-4-5-13(3,18)6-8-17/h18H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol?
1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107409067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).