1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one

C19H21N7O — CID 133489692

IUPAC1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(NCc3ccc(-n4cccn4)cc3)ncn2)CC1=O
InChIInChI=1S/C19H21N7O/c1-24-9-10-25(13-19(24)27)18-11-17(21-14-22-18)20-12-15-3-5-16(6-4-15)26-8-2-7-23-26/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,21,22)
InChIKeyLZWQZLSICAKSFM-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.55
Rot. Bonds5

About 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one (PubChem CID 133489692) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one
PubChem CID133489692
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(NCc3ccc(-n4cccn4)cc3)ncn2)CC1=O
InChIInChI=1S/C19H21N7O/c1-24-9-10-25(13-19(24)27)18-11-17(21-14-22-18)20-12-15-3-5-16(6-4-15)26-8-2-7-23-26/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,21,22)
InChIKeyLZWQZLSICAKSFM-UHFFFAOYSA-N
XLogP1.55
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-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

4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
1-methyl-4-[6-[[1-(2-methylpropyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133493356
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464172
4-[6-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492142
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133493370
4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one (CID 133489692) is 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one is CN1CCN(c2cc(NCc3ccc(-n4cccn4)cc3)ncn2)CC1=O.
What is the InChIKey of 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is LZWQZLSICAKSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-24-9-10-25(13-19(24)27)18-11-17(21-14-22-18)20-12-15-3-5-16(6-4-15)26-8-2-7-23-26/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,21,22).
What are the key properties of 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 363.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 133489692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).