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

C18H24N4O3 — CID 97143564

IUPAC6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2
InChIInChI=1S/C18H24N4O3/c1-11-19-15-10-21(9-14(15)18(25)20(11)2)17(24)12-7-16(23)22(8-12)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyOZCOTIZPWLKVAV-GFCCVEGCSA-N
MW344.42 g/mol
LogP0.72
Rot. Bonds2

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

6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 97143564) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID97143564
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2
InChIInChI=1S/C18H24N4O3/c1-11-19-15-10-21(9-14(15)18(25)20(11)2)17(24)12-7-16(23)22(8-12)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyOZCOTIZPWLKVAV-GFCCVEGCSA-N
XLogP0.72
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-cyclopentyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72908888
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-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72848870
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
6-[(1-isopropyl-4-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72926970
6-[(3R)-1-cyclopentyl-6-oxopiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97113037
6-[(3S)-1-cyclopentyl-6-oxopiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97113038
6-[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97124856
6-[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97124857

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 97143564) is 6-[(3R)-1-cyclopentyl-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-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2.
What is the InChIKey of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is OZCOTIZPWLKVAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-19-15-10-21(9-14(15)18(25)20(11)2)17(24)12-7-16(23)22(8-12)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 344.42 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 97143564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).