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

C18H21ClN4O — CID 109341697

IUPAC[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NCCc2cccc(Cl)c2)ncn1)N1CCCCC1
InChIInChI=1S/C18H21ClN4O/c19-15-6-4-5-14(11-15)7-8-20-17-12-16(21-13-22-17)18(24)23-9-2-1-3-10-23/h4-6,11-13H,1-3,7-10H2,(H,20,21,22)
InChIKeyQKGZRVRAOLYSLF-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.41
Rot. Bonds5

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

[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341697) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341697
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NCCc2cccc(Cl)c2)ncn1)N1CCCCC1
InChIInChI=1S/C18H21ClN4O/c19-15-6-4-5-14(11-15)7-8-20-17-12-16(21-13-22-17)18(24)23-9-2-1-3-10-23/h4-6,11-13H,1-3,7-10H2,(H,20,21,22)
InChIKeyQKGZRVRAOLYSLF-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363675
[6-(3-chloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341728
azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[2-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322506
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858437
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355427

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341697) is [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(NCCc2cccc(Cl)c2)ncn1)N1CCCCC1.
What is the InChIKey of [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is QKGZRVRAOLYSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-6-4-5-14(11-15)7-8-20-17-12-16(21-13-22-17)18(24)23-9-2-1-3-10-23/h4-6,11-13H,1-3,7-10H2,(H,20,21,22).
What are the key properties of [6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 344.85 g/mol, XLogP of 3.41, 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]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).