2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C11H10N4OS — CID 137275794

IUPAC2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1-c1cccs1
InChIInChI=1S/C11H10N4OS/c1-5-7(6-3-2-4-17-6)8-9(13-5)14-11(12)15-10(8)16/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyYVOTVWDIDVJZBT-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.87
Rot. Bonds1

About 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137275794) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137275794
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1-c1cccs1
InChIInChI=1S/C11H10N4OS/c1-5-7(6-3-2-4-17-6)8-9(13-5)14-11(12)15-10(8)16/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyYVOTVWDIDVJZBT-UHFFFAOYSA-N
XLogP1.87
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

CI 972
CID 135418360
CI-972 free base
CID 135418361
2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399661
2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfanyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135964391
4-(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylsulfanyl)-benzonitrile
CID 135964392
2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135964413
2,6-Diamino-7-(thiophen-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
CID 136179496
2,6-Diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one hydrochloride monohydrate
CID 135565843
2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399909
2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfanyl}-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135453109
2-Amino-5-(4-fluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135516724
2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135964387

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137275794) is 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1[nH]c2nc(N)[nH]c(=O)c2c1-c1cccs1.
What is the InChIKey of 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YVOTVWDIDVJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-5-7(6-3-2-4-17-6)8-9(13-5)14-11(12)15-10(8)16/h2-4H,1H3,(H4,12,13,14,15,16).
What are the key properties of 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 246.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137275794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).