4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one

C10H17N3O2 — CID 136703837

IUPAC4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-7(2)3-8(14)5-11-9-4-10(15)13-6-12-9/h4,6-8,14H,3,5H2,1-2H3,(H2,11,12,13,15)
InChIKeyUOXPGLHHNFYKAT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.59
Rot. Bonds5

About 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one

4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136703837) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136703837
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-7(2)3-8(14)5-11-9-4-10(15)13-6-12-9/h4,6-8,14H,3,5H2,1-2H3,(H2,11,12,13,15)
InChIKeyUOXPGLHHNFYKAT-UHFFFAOYSA-N
XLogP0.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
5-chloro-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703825
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
5-bromo-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703829
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703834

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (CID 136703837) is 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is CC(C)CC(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UOXPGLHHNFYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)3-8(14)5-11-9-4-10(15)13-6-12-9/h4,6-8,14H,3,5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136703837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).