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

C9H11N3O — CID 135730205

IUPAC2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C9H11N3O/c1-4-5(2)10-8-7(4)9(13)12-6(3)11-8/h1-3H3,(H2,10,11,12,13)
InChIKeyQOFHPMCBGDZPDG-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.18
Rot. Bonds

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

2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135730205) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135730205
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C9H11N3O/c1-4-5(2)10-8-7(4)9(13)12-6(3)11-8/h1-3H3,(H2,10,11,12,13)
InChIKeyQOFHPMCBGDZPDG-UHFFFAOYSA-N
XLogP1.18
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135578192
6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135493707
2-Amino-5-methyl-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100788
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
2-Amino-3-carbamoyl-4-methyl-5-phenylpyrrole
CID 15871299
(4-bromophenyl)(5,7,7-trimethyl-7H-imidazo[2,1-b][1,3]thiazin-3-yl)methanone
CID 135460931
2-Amino-5-(4-fluorophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275791
6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol
CID 68387390

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135730205) is 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2[nH]c(C)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is QOFHPMCBGDZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-4-5(2)10-8-7(4)9(13)12-6(3)11-8/h1-3H3,(H2,10,11,12,13).
What are the key properties of 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 177.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135730205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).