N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H21N5O — CID 108897251

IUPACN-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O/c1-14-5-2-3-6-15(14)13-20-17(23)22-11-9-21(10-12-22)16-18-7-4-8-19-16/h2-8H,9-13H2,1H3,(H,20,23)
InChIKeyLFWULJWMLUUENR-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.82
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 108897251) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID108897251
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O/c1-14-5-2-3-6-15(14)13-20-17(23)22-11-9-21(10-12-22)16-18-7-4-8-19-16/h2-8H,9-13H2,1H3,(H,20,23)
InChIKeyLFWULJWMLUUENR-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
N-[(2,3-dimethylphenoxy)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108878483
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
N-[(4-methoxy-3-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71934378
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 108897251) is N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is Cc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is LFWULJWMLUUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-14-5-2-3-6-15(14)13-20-17(23)22-11-9-21(10-12-22)16-18-7-4-8-19-16/h2-8H,9-13H2,1H3,(H,20,23).
What are the key properties of N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108897251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).