2-(methylamino)-1,7-dihydropurin-6-one;thiophene

C10H11N5OS — CID 174493595

IUPAC2-(methylamino)-1,7-dihydropurin-6-one;thiophene
SMILESCNc1nc2nc[nH]c2c(=O)[nH]1.c1ccsc1
InChIInChI=1S/C6H7N5O.C4H4S/c1-7-6-10-4-3(5(12)11-6)8-2-9-4;1-2-4-5-3-1/h2H,1H3,(H3,7,8,9,10,11,12);1-4H
InChIKeyXYESMNYZVJHRKA-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.44
Rot. Bonds1

About 2-(methylamino)-1,7-dihydropurin-6-one;thiophene

2-(methylamino)-1,7-dihydropurin-6-one;thiophene (PubChem CID 174493595) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(methylamino)-1,7-dihydropurin-6-one;thiophene.

Molecular Properties

Compound Name2-(methylamino)-1,7-dihydropurin-6-one;thiophene
PubChem CID174493595
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(methylamino)-1,7-dihydropurin-6-one;thiophene
SMILESCNc1nc2nc[nH]c2c(=O)[nH]1.c1ccsc1
InChIInChI=1S/C6H7N5O.C4H4S/c1-7-6-10-4-3(5(12)11-6)8-2-9-4;1-2-4-5-3-1/h2H,1H3,(H3,7,8,9,10,11,12);1-4H
InChIKeyXYESMNYZVJHRKA-UHFFFAOYSA-N
XLogP1.44
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
CID 135456846
2-(3,5-dichloroanilino)-1,7-dihydropurin-6-one
CID 135410329
2-(2,2-dimethoxyethylamino)-1,7-dihydropurin-6-one
CID 136951529
2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
CID 135435088
N-(6-oxo-1,7-dihydropurin-2-yl)butanamide
CID 135411165
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
CID 135748399
N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
CID 135734285
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-1,7-dihydropurin-6-one
CID 160598455

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1,7-dihydropurin-6-one;thiophene?
The IUPAC name of 2-(methylamino)-1,7-dihydropurin-6-one;thiophene (CID 174493595) is 2-(methylamino)-1,7-dihydropurin-6-one;thiophene.
What is the SMILES notation for 2-(methylamino)-1,7-dihydropurin-6-one;thiophene?
The canonical SMILES for 2-(methylamino)-1,7-dihydropurin-6-one;thiophene is CNc1nc2nc[nH]c2c(=O)[nH]1.c1ccsc1.
What is the InChIKey of 2-(methylamino)-1,7-dihydropurin-6-one;thiophene?
The InChIKey is XYESMNYZVJHRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.C4H4S/c1-7-6-10-4-3(5(12)11-6)8-2-9-4;1-2-4-5-3-1/h2H,1H3,(H3,7,8,9,10,11,12);1-4H.
What are the key properties of 2-(methylamino)-1,7-dihydropurin-6-one;thiophene?
2-(methylamino)-1,7-dihydropurin-6-one;thiophene has a molecular weight of 249.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,7-dihydropurin-6-one;thiophene is sourced from PubChem (CID 174493595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).