6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C15H20N4O3 — CID 97195717

IUPAC6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCN1C[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CC1=O
InChIInChI=1S/C15H20N4O3/c1-4-18-6-10(5-13(18)20)14(21)19-7-11-12(8-19)16-9(2)17(3)15(11)22/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMALMYQULNQVAHK-SNVBAGLBSA-N
MW304.35 g/mol
LogP-0.20
Rot. Bonds2

About 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 97195717) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID97195717
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCN1C[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CC1=O
InChIInChI=1S/C15H20N4O3/c1-4-18-6-10(5-13(18)20)14(21)19-7-11-12(8-19)16-9(2)17(3)15(11)22/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMALMYQULNQVAHK-SNVBAGLBSA-N
XLogP-0.20
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974124
5-Methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974363
5-Tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 132040866
4-Tert-butyl-1,4,8-triazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 132040868
Ethane;5-methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 145047544
Ethane;4-methyl-1,4,8-triazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 145047587
6-Tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane
CID 158157849
6-[(1-cyclopentyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70766070
6-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70784289
6-({1-[2-(dimethylamino)ethyl]-5-oxo-3-pyrrolidinyl}carbonyl)-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72855234
6-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72873270
6-[(1-ethyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72877565

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 97195717) is 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is CCN1C[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CC1=O.
What is the InChIKey of 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is MALMYQULNQVAHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-18-6-10(5-13(18)20)14(21)19-7-11-12(8-19)16-9(2)17(3)15(11)22/h10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 304.35 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 97195717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).