N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C17H21N5O — CID 6466372

IUPACN-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyFAUOIWKXVZMERY-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.55
Rot. Bonds4

About N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 6466372) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID6466372
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyFAUOIWKXVZMERY-UHFFFAOYSA-N
XLogP1.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Prt-060318
CID 11493841
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
C-1368
CID 9549303
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
2,4-Disubstituted Pyrimidine 3d
CID 5329429
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 6466372) is N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is FAUOIWKXVZMERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23).
What are the key properties of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6466372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).