6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one

C8H10BrN3O — CID 143718161

IUPAC6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one
SMILESC=CCNc1c(Br)ncn(C)c1=O
InChIInChI=1S/C8H10BrN3O/c1-3-4-10-6-7(9)11-5-12(2)8(6)13/h3,5,10H,1,4H2,2H3
InChIKeyPRGUXFDCKWERRH-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.14
Rot. Bonds3

About 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one

6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one (PubChem CID 143718161) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one
PubChem CID143718161
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one
SMILESC=CCNc1c(Br)ncn(C)c1=O
InChIInChI=1S/C8H10BrN3O/c1-3-4-10-6-7(9)11-5-12(2)8(6)13/h3,5,10H,1,4H2,2H3
InChIKeyPRGUXFDCKWERRH-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-bromo-3-methyl-5-(prop-2-enylamino)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 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one?
The IUPAC name of 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one (CID 143718161) is 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one.
What is the SMILES notation for 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one?
The canonical SMILES for 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one is C=CCNc1c(Br)ncn(C)c1=O.
What is the InChIKey of 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one?
The InChIKey is PRGUXFDCKWERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-3-4-10-6-7(9)11-5-12(2)8(6)13/h3,5,10H,1,4H2,2H3.
What are the key properties of 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one?
6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one has a molecular weight of 244.09 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-5-(prop-2-enylamino)pyrimidin-4-one is sourced from PubChem (CID 143718161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).