5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C8H9N3O — CID 135578192

IUPAC5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc[nH]c(=O)c2c1C
InChIInChI=1S/C8H9N3O/c1-4-5(2)11-7-6(4)8(12)10-3-9-7/h3H,1-2H3,(H2,9,10,11,12)
InChIKeyWDLIZNULNYTMOG-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.87
Rot. Bonds

About 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135578192) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135578192
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc[nH]c(=O)c2c1C
InChIInChI=1S/C8H9N3O/c1-4-5(2)11-7-6(4)8(12)10-3-9-7/h3H,1-2H3,(H2,9,10,11,12)
InChIKeyWDLIZNULNYTMOG-UHFFFAOYSA-N
XLogP0.87
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135493707
7-cyclopentyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135756445
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1,3,5,6-tetramethyl-
CID 215964
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1,3,6-trimethyl-
CID 3041227
N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide
CID 14444312
(4-bromophenyl)(5,7,7-trimethyl-7H-imidazo[2,1-b][1,3]thiazin-3-yl)methanone
CID 135460931
2-Amino-6-ethyl-3,7-dihydro-pyrrolo
CID 135438441
2-Amino-6-(2-aminoethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
CID 152552673
2-(4-Fluorophenyl)-5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136383802
2-(2-Fluorophenyl)-5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136383830
2-(3-Fluorophenyl)-5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136383832

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135578192) is 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1[nH]c2nc[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is WDLIZNULNYTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-5(2)11-7-6(4)8(12)10-3-9-7/h3H,1-2H3,(H2,9,10,11,12).
What are the key properties of 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135578192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).