4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

C16H17ClN4O2 — CID 137147424

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C16H17ClN4O2/c1-11-2-3-12(17)8-14(11)20-4-6-21(7-5-20)16(23)13-9-15(22)19-10-18-13/h2-3,8-10H,4-7H2,1H3,(H,18,19,22)
InChIKeyYHDBISMUWWSANG-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.69
Rot. Bonds2

About 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 137147424) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID137147424
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C16H17ClN4O2/c1-11-2-3-12(17)8-14(11)20-4-6-21(7-5-20)16(23)13-9-15(22)19-10-18-13/h2-3,8-10H,4-7H2,1H3,(H,18,19,22)
InChIKeyYHDBISMUWWSANG-UHFFFAOYSA-N
XLogP1.69
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
CID 121066902
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147367
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 119829101
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 20906605
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 35678508
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 137147424) is 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is YHDBISMUWWSANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-11-2-3-12(17)8-14(11)20-4-6-21(7-5-20)16(23)13-9-15(22)19-10-18-13/h2-3,8-10H,4-7H2,1H3,(H,18,19,22).
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 332.79 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137147424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).