(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone

C20H27N5O — CID 109260680

IUPAC(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C20H27N5O/c1-3-18-6-4-5-12-25(18)19(26)17-14-22-20(23-15-17)24(2)13-9-16-7-10-21-11-8-16/h7-8,10-11,14-15,18H,3-6,9,12-13H2,1-2H3
InChIKeyJKSFMMKEMFZFQW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.96
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone

(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone (PubChem CID 109260680) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone
PubChem CID109260680
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C20H27N5O/c1-3-18-6-4-5-12-25(18)19(26)17-14-22-20(23-15-17)24(2)13-9-16-7-10-21-11-8-16/h7-8,10-11,14-15,18H,3-6,9,12-13H2,1-2H3
InChIKeyJKSFMMKEMFZFQW-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108985566
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240527
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone (CID 109260680) is (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone is CCC1CCCCN1C(=O)c1cnc(N(C)CCc2ccncc2)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is JKSFMMKEMFZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-18-6-4-5-12-25(18)19(26)17-14-22-20(23-15-17)24(2)13-9-16-7-10-21-11-8-16/h7-8,10-11,14-15,18H,3-6,9,12-13H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109260680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).