2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one

C17H23N5O3 — CID 137246983

IUPAC2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1noc(C)c1CC(=O)N1CCC(c2cc(=O)[nH]c(N(C)C)n2)C1
InChIInChI=1S/C17H23N5O3/c1-10-13(11(2)25-20-10)7-16(24)22-6-5-12(9-22)14-8-15(23)19-17(18-14)21(3)4/h8,12H,5-7,9H2,1-4H3,(H,18,19,23)
InChIKeyHEJDIMKDWBRWMQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.00
Rot. Bonds4

About 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137246983) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID137246983
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1noc(C)c1CC(=O)N1CCC(c2cc(=O)[nH]c(N(C)C)n2)C1
InChIInChI=1S/C17H23N5O3/c1-10-13(11(2)25-20-10)7-16(24)22-6-5-12(9-22)14-8-15(23)19-17(18-14)21(3)4/h8,12H,5-7,9H2,1-4H3,(H,18,19,23)
InChIKeyHEJDIMKDWBRWMQ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-4-[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246954
2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765936
2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 154768315
1-[3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 136765923
2-(dimethylamino)-4-[(3S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821125
2-(dimethylamino)-4-[1-[2-(2-oxo-1-pyridinyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 167926168
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 128988663
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 127246561
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92605521
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129356021
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 137246983) is 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is Cc1noc(C)c1CC(=O)N1CCC(c2cc(=O)[nH]c(N(C)C)n2)C1.
What is the InChIKey of 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is HEJDIMKDWBRWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10-13(11(2)25-20-10)7-16(24)22-6-5-12(9-22)14-8-15(23)19-17(18-14)21(3)4/h8,12H,5-7,9H2,1-4H3,(H,18,19,23).
What are the key properties of 2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 345.40 g/mol, XLogP of 1.00, 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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137246983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).