1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

C9H11N3O2 — CID 141001554

IUPAC1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(=O)c2c[nH]cc21
InChIInChI=1S/C9H11N3O2/c1-5(2)12-7-4-10-3-6(7)8(13)11-9(12)14/h3-5,10H,1-2H3,(H,11,13,14)
InChIKeyLOQCCBMSLCVGBO-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.60
Rot. Bonds1

About 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 141001554) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID141001554
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(=O)c2c[nH]cc21
InChIInChI=1S/C9H11N3O2/c1-5(2)12-7-4-10-3-6(7)8(13)11-9(12)14/h3-5,10H,1-2H3,(H,11,13,14)
InChIKeyLOQCCBMSLCVGBO-UHFFFAOYSA-N
XLogP0.60
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
CID 90717928
8-(2,4-dioxo-6H-pyrrolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid
CID 51003442
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212
methyl 2,4,7-trioxo-1-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-5-carboxylate
CID 17229002
5-methyl-2-oxo-1-propan-2-yl-3H-benzimidazole-4-carboxylic acid
CID 67478166
3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
CID 151683371
6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
CID 90176744
6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 134228664
4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
CID 117410283
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione
CID 123311990
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 141001554) is 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione is CC(C)n1c(=O)[nH]c(=O)c2c[nH]cc21.
What is the InChIKey of 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is LOQCCBMSLCVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5(2)12-7-4-10-3-6(7)8(13)11-9(12)14/h3-5,10H,1-2H3,(H,11,13,14).
What are the key properties of 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 141001554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).