[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C18H21ClN4O — CID 109354979

IUPAC[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H21ClN4O/c1-2-15-5-3-4-10-23(15)18(24)16-11-17(21-12-20-16)22-14-8-6-13(19)7-9-14/h6-9,11-12,15H,2-5,10H2,1H3,(H,20,21,22)
InChIKeyIZWLUCQHNGMYRS-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.28
Rot. Bonds4

About [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109354979) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109354979
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H21ClN4O/c1-2-15-5-3-4-10-23(15)18(24)16-11-17(21-12-20-16)22-14-8-6-13(19)7-9-14/h6-9,11-12,15H,2-5,10H2,1H3,(H,20,21,22)
InChIKeyIZWLUCQHNGMYRS-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354998
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175643
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109354979) is [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Nc2ccc(Cl)cc2)ncn1.
What is the InChIKey of [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is IZWLUCQHNGMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-15-5-3-4-10-23(15)18(24)16-11-17(21-12-20-16)22-14-8-6-13(19)7-9-14/h6-9,11-12,15H,2-5,10H2,1H3,(H,20,21,22).
What are the key properties of [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 344.85 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109354979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).