(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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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).