2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C17H23N5O3 — CID 136765936

IUPAC2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1onc(C)c1C(=O)N1CCC(c2cc(=O)[nH]c(N(C)C)n2)C1
InChIInChI=1S/C17H23N5O3/c1-5-13-15(10(2)20-25-13)16(24)22-7-6-11(9-22)12-8-14(23)19-17(18-12)21(3)4/h8,11H,5-7,9H2,1-4H3,(H,18,19,23)
InChIKeyUOFJIXMPRWIKDI-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.32
Rot. Bonds4

About 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136765936) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136765936
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1onc(C)c1C(=O)N1CCC(c2cc(=O)[nH]c(N(C)C)n2)C1
InChIInChI=1S/C17H23N5O3/c1-5-13-15(10(2)20-25-13)16(24)22-7-6-11(9-22)12-8-14(23)19-17(18-12)21(3)4/h8,11H,5-7,9H2,1-4H3,(H,18,19,23)
InChIKeyUOFJIXMPRWIKDI-UHFFFAOYSA-N
XLogP1.32
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163169
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 18190985
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 24687405
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24687502
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 71940638
4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217931
(2,4-Diamino-5-propyl-1,3,5,9-tetrazaspiro[5.5]undeca-1,3-dien-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 145953482

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136765936) is 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is CCc1onc(C)c1C(=O)N1CCC(c2cc(=O)[nH]c(N(C)C)n2)C1.
What is the InChIKey of 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is UOFJIXMPRWIKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-5-13-15(10(2)20-25-13)16(24)22-7-6-11(9-22)12-8-14(23)19-17(18-12)21(3)4/h8,11H,5-7,9H2,1-4H3,(H,18,19,23).
What are the key properties of 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 345.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136765936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).