(4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H15ClN4O — CID 727060

IUPAC(4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15ClN4O/c16-13-4-2-12(3-5-13)14(21)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11H2
InChIKeyWZQMTTDANZJQHC-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.09
Rot. Bonds2

About (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 727060) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID727060
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name(4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15ClN4O/c16-13-4-2-12(3-5-13)14(21)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11H2
InChIKeyWZQMTTDANZJQHC-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-2-pyrimidinyl)methyl)amino)methyl)-1-piperidinyl)methanone
CID 11741361
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
2-amino-6-(2,6-dichlorophenyl)-8-ethyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328625
2-amino-6-(2,6-dichlorophenyl)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328626
Pyrido[2,3-d]pyrimidin-7-one deriv. 13
CID 5328633
Pyrimidine-4-carboxamide, 65
CID 44520946
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
2-[4-(3-Chlorobenzoyl)piperazin-1-yl]pyrimidine
CID 2933647
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 727060) is (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WZQMTTDANZJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-13-4-2-12(3-5-13)14(21)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11H2.
What are the key properties of (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 302.77 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 727060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).