1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C18H19ClN4O2 — CID 154857430

IUPAC1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-12-11-16(18(25)23-9-7-22(8-10-23)13(2)24)21-17(20-12)14-3-5-15(19)6-4-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFAMQXWZQMWKMAU-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.41
Rot. Bonds2

About 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 154857430) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID154857430
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-12-11-16(18(25)23-9-7-22(8-10-23)13(2)24)21-17(20-12)14-3-5-15(19)6-4-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFAMQXWZQMWKMAU-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 97069270
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 102538212
[2-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325870
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112851714
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322479
1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone
CID 34839657
N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62746248
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 154857430) is 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FAMQXWZQMWKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-11-16(18(25)23-9-7-22(8-10-23)13(2)24)21-17(20-12)14-3-5-15(19)6-4-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 358.83 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 154857430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).