4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one

C18H21N5O — CID 69101897

IUPAC4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
SMILESCN(c1nccc(N2CCNC(=O)C2c2ccccc2)n1)C1CC1
InChIInChI=1S/C18H21N5O/c1-22(14-7-8-14)18-20-10-9-15(21-18)23-12-11-19-17(24)16(23)13-5-3-2-4-6-13/h2-6,9-10,14,16H,7-8,11-12H2,1H3,(H,19,24)
InChIKeyJKRJPRCMLLZYBA-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.75
Rot. Bonds4

About 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one

4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one (PubChem CID 69101897) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
PubChem CID69101897
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
SMILESCN(c1nccc(N2CCNC(=O)C2c2ccccc2)n1)C1CC1
InChIInChI=1S/C18H21N5O/c1-22(14-7-8-14)18-20-10-9-15(21-18)23-12-11-19-17(24)16(23)13-5-3-2-4-6-13/h2-6,9-10,14,16H,7-8,11-12H2,1H3,(H,19,24)
InChIKeyJKRJPRCMLLZYBA-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyrimidin-2-yl)phenyl]ethyl]amino}pentanamide
CID 10216231
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
(3s)-1-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-3-Methyl-N-(2-Pyrimidin-2-Ylphenyl)-L-Prolinamide
CID 42609700
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one (CID 69101897) is 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one is CN(c1nccc(N2CCNC(=O)C2c2ccccc2)n1)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one?
The InChIKey is JKRJPRCMLLZYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22(14-7-8-14)18-20-10-9-15(21-18)23-12-11-19-17(24)16(23)13-5-3-2-4-6-13/h2-6,9-10,14,16H,7-8,11-12H2,1H3,(H,19,24).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one?
4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one has a molecular weight of 323.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 69101897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).