(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H19ClN4O2 — CID 110762112

IUPAC(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(C)c(C(=O)N2CCN(c3ncccn3)CC2)cc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-12-10-15(24-2)14(18)11-13(12)16(23)21-6-8-22(9-7-21)17-19-4-3-5-20-17/h3-5,10-11H,6-9H2,1-2H3
InChIKeySOLVFTCBBVEOBM-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.41
Rot. Bonds3

About (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110762112) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110762112
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(C)c(C(=O)N2CCN(c3ncccn3)CC2)cc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-12-10-15(24-2)14(18)11-13(12)16(23)21-6-8-22(9-7-21)17-19-4-3-5-20-17/h3-5,10-11H,6-9H2,1-2H3
InChIKeySOLVFTCBBVEOBM-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060
(4-ethoxy-2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761665
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26758335
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501278
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26758161
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110762112) is (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1cc(C)c(C(=O)N2CCN(c3ncccn3)CC2)cc1Cl.
What is the InChIKey of (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SOLVFTCBBVEOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-10-15(24-2)14(18)11-13(12)16(23)21-6-8-22(9-7-21)17-19-4-3-5-20-17/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 346.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110762112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).