(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H19ClN4O2 — CID 42473262

IUPAC(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-19-15(11-16(20-12)24-2)21-6-8-22(9-7-21)17(23)13-4-3-5-14(18)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZMLARMCSHAARPE-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.41
Rot. Bonds3

About (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42473262) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42473262
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-19-15(11-16(20-12)24-2)21-6-8-22(9-7-21)17(23)13-4-3-5-14(18)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZMLARMCSHAARPE-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

(3-chlorophenyl)-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473337
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
[3-(4-fluorophenoxy)phenyl]-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332411
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122332371
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42065406
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
(3-methylphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70702517
(3-chlorophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802457
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 42473262) is (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)n1.
What is the InChIKey of (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ZMLARMCSHAARPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-19-15(11-16(20-12)24-2)21-6-8-22(9-7-21)17(23)13-4-3-5-14(18)10-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-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 (3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42473262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).