[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone

C19H23ClN4O — CID 109257700

IUPAC[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H23ClN4O/c1-2-17-5-3-4-10-24(17)18(25)15-12-22-19(23-13-15)21-11-14-6-8-16(20)9-7-14/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,21,22,23)
InChIKeyPXZFXHLVTMHCMC-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.15
Rot. Bonds5

About [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone

[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109257700) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109257700
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H23ClN4O/c1-2-17-5-3-4-10-24(17)18(25)15-12-22-19(23-13-15)21-11-14-6-8-16(20)9-7-14/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,21,22,23)
InChIKeyPXZFXHLVTMHCMC-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264167
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109257700) is [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is PXZFXHLVTMHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-17-5-3-4-10-24(17)18(25)15-12-22-19(23-13-15)21-11-14-6-8-16(20)9-7-14/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,21,22,23).
What are the key properties of [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109257700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).