4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136956362

IUPAC4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C10H17N3O/c1-4-8(7(2)3)13-9-5-10(14)12-6-11-9/h5-8H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyNLRDQQKQBWULHN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds4

About 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one

4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956362) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136956362
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C10H17N3O/c1-4-8(7(2)3)13-9-5-10(14)12-6-11-9/h5-8H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyNLRDQQKQBWULHN-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one 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

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
3-Methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237700

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136956362) is 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(Nc1cc(=O)[nH]cn1)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is NLRDQQKQBWULHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-8(7(2)3)13-9-5-10(14)12-6-11-9/h5-8H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).