2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C15H13BrN4O — CID 136771794

IUPAC2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(Cc3ccc(Br)cc3)n2)cn1
InChIInChI=1S/C15H13BrN4O/c1-20-9-11(8-17-20)13-7-15(21)19-14(18-13)6-10-2-4-12(16)5-3-10/h2-5,7-9H,6H2,1H3,(H,18,19,21)
InChIKeyRKSCOEXRIDJNCF-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.52
Rot. Bonds3

About 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136771794) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136771794
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(Cc3ccc(Br)cc3)n2)cn1
InChIInChI=1S/C15H13BrN4O/c1-20-9-11(8-17-20)13-7-15(21)19-14(18-13)6-10-2-4-12(16)5-3-10/h2-5,7-9H,6H2,1H3,(H,18,19,21)
InChIKeyRKSCOEXRIDJNCF-UHFFFAOYSA-N
XLogP2.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-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

2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
4-(1-methylpyrazol-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidin-6-one
CID 136771679
2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771714
2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771723
2-(4-bromo-3-chlorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136782050
2-(3-bromo-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771732
2-[(4-bromophenyl)methyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978166
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136771794) is 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(Cc3ccc(Br)cc3)n2)cn1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is RKSCOEXRIDJNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-20-9-11(8-17-20)13-7-15(21)19-14(18-13)6-10-2-4-12(16)5-3-10/h2-5,7-9H,6H2,1H3,(H,18,19,21).
What are the key properties of 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 345.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).