2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one

C8H13N3O — CID 58868662

IUPAC2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one
SMILESC=C1NC=C(NC(C)C)C(=O)N1
InChIInChI=1S/C8H13N3O/c1-5(2)10-7-4-9-6(3)11-8(7)12/h4-5,9-10H,3H2,1-2H3,(H,11,12)
InChIKeyIDLLITYJAAWLJW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.02
Rot. Bonds2

About 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one

2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one (PubChem CID 58868662) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one.

Molecular Properties

Compound Name2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one
PubChem CID58868662
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one
SMILESC=C1NC=C(NC(C)C)C(=O)N1
InChIInChI=1S/C8H13N3O/c1-5(2)10-7-4-9-6(3)11-8(7)12/h4-5,9-10H,3H2,1-2H3,(H,11,12)
InChIKeyIDLLITYJAAWLJW-UHFFFAOYSA-N
XLogP0.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-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-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one?
The IUPAC name of 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one (CID 58868662) is 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one.
What is the SMILES notation for 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one?
The canonical SMILES for 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one is C=C1NC=C(NC(C)C)C(=O)N1.
What is the InChIKey of 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one?
The InChIKey is IDLLITYJAAWLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)10-7-4-9-6(3)11-8(7)12/h4-5,9-10H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one?
2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-(propan-2-ylamino)-1H-pyrimidin-4-one is sourced from PubChem (CID 58868662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).