2-(propan-2-ylamino)-1H-pyrimidin-6-one

C7H11N3O — CID 1404214

IUPAC2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nccc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-5(2)9-7-8-4-3-6(11)10-7/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyVQEDGGYDPKEQGW-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.59
Rot. Bonds2

About 2-(propan-2-ylamino)-1H-pyrimidin-6-one

2-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 1404214) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID1404214
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nccc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-5(2)9-7-8-4-3-6(11)10-7/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyVQEDGGYDPKEQGW-UHFFFAOYSA-N
XLogP0.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(propan-2-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

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 1404214) is 2-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1nccc(=O)[nH]1.
What is the InChIKey of 2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is VQEDGGYDPKEQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)9-7-8-4-3-6(11)10-7/h3-5H,1-2H3,(H2,8,9,10,11).
What are the key properties of 2-(propan-2-ylamino)-1H-pyrimidin-6-one?
2-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 153.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 1404214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).