7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C13H17N3O — CID 135756445

IUPAC7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(C2CCCC2)c2nc[nH]c(=O)c12
InChIInChI=1S/C13H17N3O/c1-8-9(2)16(10-5-3-4-6-10)12-11(8)13(17)15-7-14-12/h7,10H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyMMVXYEXGOQRXMM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.46
Rot. Bonds1

About 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135756445) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135756445
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(C2CCCC2)c2nc[nH]c(=O)c12
InChIInChI=1S/C13H17N3O/c1-8-9(2)16(10-5-3-4-6-10)12-11(8)13(17)15-7-14-12/h7,10H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyMMVXYEXGOQRXMM-UHFFFAOYSA-N
XLogP2.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135578192
5,6-Dimethyl-2-diethylaminopyridine-3,4-dicarboxyimide
CID 612802
7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135513648
2,5,6-Trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135730205
2,5,6-trimethyl-7-(1-phenylethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136099656
2-(7-cyclohexyl-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 126813608
3-{5,6-Dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-D]pyrimidin-3-YL}-N-(propan-2-YL)propanamide
CID 50779854
N-cyclopropyl-3-(5,6-dimethyl-4-oxo-7-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 50779877
3-{5,6-Dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-D]pyrimidin-3-YL}-N-[3-(2-oxopyrrolidin-1-YL)propyl]propanamide
CID 50779916
3-{5,6-Dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-D]pyrimidin-3-YL}-N-ethylpropanamide
CID 50780023
N-Cyclopentyl-3-{5,6-dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-D]pyrimidin-3-YL}propanamide
CID 50780110
1,3,5,6,7-Pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 58736802

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135756445) is 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1c(C)n(C2CCCC2)c2nc[nH]c(=O)c12.
What is the InChIKey of 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MMVXYEXGOQRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-9(2)16(10-5-3-4-6-10)12-11(8)13(17)15-7-14-12/h7,10H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).