2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C14H11ClN8O2S — CID 135656207

IUPAC2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc(N)c(-c2c(-c3ccc(Cl)s3)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1
InChIInChI=1S/C14H11ClN8O2S/c15-4-2-1-3(26-4)8-5(6-9(16)20-13(17)22-11(6)24)7-10(19-8)21-14(18)23-12(7)25/h1-2H,(H5,16,17,20,22,24)(H4,18,19,21,23,25)
InChIKeyGBMXCWFYVVOJAZ-UHFFFAOYSA-N
MW390.82 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135656207) has the molecular formula C14H11ClN8O2S and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135656207
Molecular FormulaC14H11ClN8O2S
Molecular Weight390.82 g/mol
Exact Mass390.04
IUPAC Name2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc(N)c(-c2c(-c3ccc(Cl)s3)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1
InChIInChI=1S/C14H11ClN8O2S/c15-4-2-1-3(26-4)8-5(6-9(16)20-13(17)22-11(6)24)7-10(19-8)21-14(18)23-12(7)25/h1-2H,(H5,16,17,20,22,24)(H4,18,19,21,23,25)
InChIKeyGBMXCWFYVVOJAZ-UHFFFAOYSA-N
XLogP1.13
TPSA185.35 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.82
LogP ≤ 51.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

CI 972
CID 135418360
2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135491882
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-[(4-chlorophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135508247
5-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(5-chlorothiophen-2-yl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
CID 17591052
2-Amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275794
1,4-Diamino-6-chloro-3-oxo-1-(thiophen-2-yl)-2,3-dihydro-1h-pyrrolo[3,4-c]pyridine-7-carbonitrile
CID 137530250
6-(4-Chlorophenyl)-5-(2,5-dimethylthiophen-3-YL)-1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-D]pyrimidine-2,4-dione
CID 50813666
2-Amino-6-[2-(4-chlorophenyl)sulfanylethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135462230
Ouxublzvqvliow-uhfffaoysa-
CID 135467703
2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide
CID 24987948

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135656207) is 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc(N)c(-c2c(-c3ccc(Cl)s3)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GBMXCWFYVVOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN8O2S/c15-4-2-1-3(26-4)8-5(6-9(16)20-13(17)22-11(6)24)7-10(19-8)21-14(18)23-12(7)25/h1-2H,(H5,16,17,20,22,24)(H4,18,19,21,23,25).
What are the key properties of 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 390.82 g/mol, XLogP of 1.13, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-chlorothiophen-2-yl)-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135656207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).