[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

C19H23ClN4O — CID 109363675

IUPAC[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(NCCc2cccc(Cl)c2)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C19H23ClN4O/c1-14-22-17(19(25)24-10-3-2-4-11-24)13-18(23-14)21-9-8-15-6-5-7-16(20)12-15/h5-7,12-13H,2-4,8-11H2,1H3,(H,21,22,23)
InChIKeyJJJAPIGEVNONJK-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.72
Rot. Bonds5

About [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109363675) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109363675
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(NCCc2cccc(Cl)c2)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C19H23ClN4O/c1-14-22-17(19(25)24-10-3-2-4-11-24)13-18(23-14)21-9-8-15-6-5-7-16(20)12-15/h5-7,12-13H,2-4,8-11H2,1H3,(H,21,22,23)
InChIKeyJJJAPIGEVNONJK-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322506
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341697
[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362953
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
1-[4-[6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367837
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112847653
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371357
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109363675) is [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(NCCc2cccc(Cl)c2)cc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is JJJAPIGEVNONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14-22-17(19(25)24-10-3-2-4-11-24)13-18(23-14)21-9-8-15-6-5-7-16(20)12-15/h5-7,12-13H,2-4,8-11H2,1H3,(H,21,22,23).
What are the key properties of [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 358.87 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109363675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).