(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone

C17H24N4O3 — CID 110249155

IUPAC(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCCC2(C)C(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C17H24N4O3/c1-12-14(11-18-13(2)19-12)15(22)21-6-4-5-17(21,3)16(23)20-7-9-24-10-8-20/h11H,4-10H2,1-3H3
InChIKeyGSYCECZTLYZJRT-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.95
Rot. Bonds2

About (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (PubChem CID 110249155) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
PubChem CID110249155
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCCC2(C)C(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C17H24N4O3/c1-12-14(11-18-13(2)19-12)15(22)21-6-4-5-17(21,3)16(23)20-7-9-24-10-8-20/h11H,4-10H2,1-3H3
InChIKeyGSYCECZTLYZJRT-UHFFFAOYSA-N
XLogP0.95
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 127245522
(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632361
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632340
(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 95851895
1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 110244224
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
2-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110249123
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (CID 110249155) is (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone is Cc1ncc(C(=O)N2CCCC2(C)C(=O)N2CCOCC2)c(C)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
The InChIKey is GSYCECZTLYZJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-14(11-18-13(2)19-12)15(22)21-6-4-5-17(21,3)16(23)20-7-9-24-10-8-20/h11H,4-10H2,1-3H3.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).