1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol

C11H19N5O — CID 107409100

IUPAC1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C11H19N5O/c1-11(17)3-2-5-16(6-4-11)9-7-8(12)14-10(13)15-9/h7,17H,2-6H2,1H3,(H4,12,13,14,15)
InChIKeyOPELFHVLMVUHLT-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.38
Rot. Bonds1

About 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol

1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107409100) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107409100
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C11H19N5O/c1-11(17)3-2-5-16(6-4-11)9-7-8(12)14-10(13)15-9/h7,17H,2-6H2,1H3,(H4,12,13,14,15)
InChIKeyOPELFHVLMVUHLT-UHFFFAOYSA-N
XLogP0.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-diaminopyrimidin-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-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
CID 107408996
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409198
1-(3-amino-1,2,4-thiadiazol-5-yl)-4-methylazepan-4-ol
CID 107408949
2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine
CID 80958618
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol
CID 107405831

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol (CID 107409100) is 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is OPELFHVLMVUHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(17)3-2-5-16(6-4-11)9-7-8(12)14-10(13)15-9/h7,17H,2-6H2,1H3,(H4,12,13,14,15).
What are the key properties of 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol?
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 237.31 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107409100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).