4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one

C23H23N5O — CID 135906353

IUPAC4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(CN(C)Cc3cc(-c4ccccc4)n[nH]3)cc2)n1
InChIInChI=1S/C23H23N5O/c1-16-12-22(29)25-23(24-16)19-10-8-17(9-11-19)14-28(2)15-20-13-21(27-26-20)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,26,27)(H,24,25,29)
InChIKeyNPWOFNMFGYCIFS-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.77
Rot. Bonds6

About 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one

4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 135906353) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
PubChem CID135906353
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(CN(C)Cc3cc(-c4ccccc4)n[nH]3)cc2)n1
InChIInChI=1S/C23H23N5O/c1-16-12-22(29)25-23(24-16)19-10-8-17(9-11-19)14-28(2)15-20-13-21(27-26-20)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,26,27)(H,24,25,29)
InChIKeyNPWOFNMFGYCIFS-UHFFFAOYSA-N
XLogP3.77
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-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-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 91829637
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
CID 135899343
2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide
CID 165418117
4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
CID 136993255
1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one
CID 157271295
2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135891008
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one (CID 135906353) is 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2ccc(CN(C)Cc3cc(-c4ccccc4)n[nH]3)cc2)n1.
What is the InChIKey of 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is NPWOFNMFGYCIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-12-22(29)25-23(24-16)19-10-8-17(9-11-19)14-28(2)15-20-13-21(27-26-20)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,26,27)(H,24,25,29).
What are the key properties of 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one?
4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 385.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135906353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).