5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one

C18H24N4O3 — CID 110241037

IUPAC5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one
SMILESCC1(C)OC(=O)CC1C(=O)N1CCc2nc(C3CCCN3)ncc2C1
InChIInChI=1S/C18H24N4O3/c1-18(2)12(8-15(23)25-18)17(24)22-7-5-13-11(10-22)9-20-16(21-13)14-4-3-6-19-14/h9,12,14,19H,3-8,10H2,1-2H3
InChIKeyDMAPTFUBGTZCKK-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.13
Rot. Bonds2

About 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one

5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one (PubChem CID 110241037) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one
PubChem CID110241037
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one
SMILESCC1(C)OC(=O)CC1C(=O)N1CCc2nc(C3CCCN3)ncc2C1
InChIInChI=1S/C18H24N4O3/c1-18(2)12(8-15(23)25-18)17(24)22-7-5-13-11(10-22)9-20-16(21-13)14-4-3-6-19-14/h9,12,14,19H,3-8,10H2,1-2H3
InChIKeyDMAPTFUBGTZCKK-UHFFFAOYSA-N
XLogP1.13
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one
CID 92582937
3-methyl-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240958
3-methyl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92578997
2-(5-methylpyrazol-1-yl)-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
CID 110241032
4-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.5]decan-2-one
CID 110241772
4-[6-tert-butyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5,5-dimethyloxolan-2-one
CID 171606635
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240989
(5-propan-2-ylthiophen-3-yl)-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110241046
1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110240996
isoquinolin-1-yl-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240984
[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 92567936
(2S)-2-(4-methylphenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92557935

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one?
The IUPAC name of 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one (CID 110241037) is 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one?
The canonical SMILES for 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one is CC1(C)OC(=O)CC1C(=O)N1CCc2nc(C3CCCN3)ncc2C1.
What is the InChIKey of 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one?
The InChIKey is DMAPTFUBGTZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2)12(8-15(23)25-18)17(24)22-7-5-13-11(10-22)9-20-16(21-13)14-4-3-6-19-14/h9,12,14,19H,3-8,10H2,1-2H3.
What are the key properties of 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one?
5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one is sourced from PubChem (CID 110241037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).