2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C8H10N4O — CID 135438441

IUPAC2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C8H10N4O/c1-2-4-3-5-6(10-4)11-8(9)12-7(5)13/h3H,2H2,1H3,(H4,9,10,11,12,13)
InChIKeyGUSKBXCBYRSLCQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.40
Rot. Bonds1

About 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135438441) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135438441
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C8H10N4O/c1-2-4-3-5-6(10-4)11-8(9)12-7(5)13/h3H,2H2,1H3,(H4,9,10,11,12,13)
InChIKeyGUSKBXCBYRSLCQ-UHFFFAOYSA-N
XLogP0.40
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 152552673
2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 163206466
methyl 4-[(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)methyl-methylcarbamoyl]benzoate
CID 137150170
(2S)-2-[8-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)octanoylamino]pentanedioic acid
CID 135567033
(2S)-2-[7-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)heptanoylamino]pentanedioic acid
CID 135567032
2-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethoxysulfonyl]benzoic acid
CID 175694083
2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 136866367
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
5-[6-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)hex-1-ynyl]thiophene-2-carboxamide
CID 137279897
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136728596
4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethylsulfamoyl]-N-pyridin-4-ylbenzamide
CID 163206478

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135438441) is 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(N)nc2[nH]1.
What is the InChIKey of 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GUSKBXCBYRSLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-4-3-5-6(10-4)11-8(9)12-7(5)13/h3H,2H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135438441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).