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

C16H17ClN4O — CID 110854458

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C16H17ClN4O/c1-12-9-15(19-11-18-12)16(22)21-7-5-20(6-8-21)14-4-2-3-13(17)10-14/h2-4,9-11H,5-8H2,1H3
InChIKeyYUENWLXSBBGKBD-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.40
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone (PubChem CID 110854458) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
PubChem CID110854458
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C16H17ClN4O/c1-12-9-15(19-11-18-12)16(22)21-7-5-20(6-8-21)14-4-2-3-13(17)10-14/h2-4,9-11H,5-8H2,1H3
InChIKeyYUENWLXSBBGKBD-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
[4-(3-chlorophenyl)piperazin-1-yl]-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 91816383
[4-(3-chlorophenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109353009
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 121167441
[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109320858
[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109321239
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone (CID 110854458) is [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ncn1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
The InChIKey is YUENWLXSBBGKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-12-9-15(19-11-18-12)16(22)21-7-5-20(6-8-21)14-4-2-3-13(17)10-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone has a molecular weight of 316.79 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 110854458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).