2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide

C16H19N5O — CID 109302090

IUPAC2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
SMILESCN1CCN(c2nccc(C(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C16H19N5O/c1-20-9-11-21(12-10-20)16-17-8-7-14(19-16)15(22)18-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,22)
InChIKeyGCBZHZWDXFTCOY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109302090) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
PubChem CID109302090
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
SMILESCN1CCN(c2nccc(C(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C16H19N5O/c1-20-9-11-21(12-10-20)16-17-8-7-14(19-16)15(22)18-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,22)
InChIKeyGCBZHZWDXFTCOY-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109302171
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109309479
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302195
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109302434
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide (CID 109302090) is 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide is CN1CCN(c2nccc(C(=O)Nc3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is GCBZHZWDXFTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20-9-11-21(12-10-20)16-17-8-7-14(19-16)15(22)18-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,22).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109302090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).