6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide

C18H21N5O2 — CID 109345911

IUPAC6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)N(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H21N5O2/c1-14(24)22-8-10-23(11-9-22)17-12-16(19-13-20-17)18(25)21(2)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyUCUMZFMFIQCEIH-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.42
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109345911) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109345911
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)N(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H21N5O2/c1-14(24)22-8-10-23(11-9-22)17-12-16(19-13-20-17)18(25)21(2)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyUCUMZFMFIQCEIH-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109345883
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
6-(4-acetylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340398
6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
CID 109340018
6-(diethylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353284
N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 126474089
6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847677
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109345911) is 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)N(C)c3ccccc3)ncn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is UCUMZFMFIQCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-14(24)22-8-10-23(11-9-22)17-12-16(19-13-20-17)18(25)21(2)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109345911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).