(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone

C19H31N5O2 — CID 109366377

IUPAC(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(NCCN2CCOCC2)nc(C)n1
InChIInChI=1S/C19H31N5O2/c1-3-16-6-4-5-8-24(16)19(25)17-14-18(22-15(2)21-17)20-7-9-23-10-12-26-13-11-23/h14,16H,3-13H2,1-2H3,(H,20,21,22)
InChIKeyMNOHMXGKKDBXEN-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.93
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone

(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone (PubChem CID 109366377) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
PubChem CID109366377
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(NCCN2CCOCC2)nc(C)n1
InChIInChI=1S/C19H31N5O2/c1-3-16-6-4-5-8-24(16)19(25)17-14-18(22-15(2)21-17)20-7-9-23-10-12-26-13-11-23/h14,16H,3-13H2,1-2H3,(H,20,21,22)
InChIKeyMNOHMXGKKDBXEN-UHFFFAOYSA-N
XLogP1.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
(2-ethylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365400
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109362132
[6-(diethylamino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109373283
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366400
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97123946
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 112847284
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone (CID 109366377) is (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone is CCC1CCCCN1C(=O)c1cc(NCCN2CCOCC2)nc(C)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The InChIKey is MNOHMXGKKDBXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-16-6-4-5-8-24(16)19(25)17-14-18(22-15(2)21-17)20-7-9-23-10-12-26-13-11-23/h14,16H,3-13H2,1-2H3,(H,20,21,22).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109366377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).