2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C20H24N6O3 — CID 92631463

IUPAC2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(=O)n1
InChIInChI=1S/C20H24N6O3/c1-11-8-12(2)26(20(29)21-11)10-17(28)25-7-5-6-15(25)18-22-13(3)14-9-16(27)24(4)19(14)23-18/h8,15H,5-7,9-10H2,1-4H3/t15-/m1/s1
InChIKeyGMHZPEOWLFRDOY-OAHLLOKOSA-N
MW396.45 g/mol
LogP0.84
Rot. Bonds3

About 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 92631463) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID92631463
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(=O)n1
InChIInChI=1S/C20H24N6O3/c1-11-8-12(2)26(20(29)21-11)10-17(28)25-7-5-6-15(25)18-22-13(3)14-9-16(27)24(4)19(14)23-18/h8,15H,5-7,9-10H2,1-4H3/t15-/m1/s1
InChIKeyGMHZPEOWLFRDOY-OAHLLOKOSA-N
XLogP0.84
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

4,7-dimethyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261665
2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631456
4,7-dimethyl-2-[(2R)-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629442
2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
4,6-dimethyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 72871110
4-methyl-7-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831954
4-methyl-2-[(2S)-1-(3-methylbutanoyl)piperidin-2-yl]-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831940
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261581
N-[2-[2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110261732
N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630611
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631400

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 92631463) is 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(=O)n1.
What is the InChIKey of 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is GMHZPEOWLFRDOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-11-8-12(2)26(20(29)21-11)10-17(28)25-7-5-6-15(25)18-22-13(3)14-9-16(27)24(4)19(14)23-18/h8,15H,5-7,9-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 396.45 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 92631463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).