2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C11H15N5O2S — CID 39163580

IUPAC2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2nc(NCCN)n(C)c(=O)c12
InChIInChI=1S/C11H15N5O2S/c1-5-6-9(19-7(5)8(13)17)15-11(14-4-3-12)16(2)10(6)18/h3-4,12H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyCOKIGGAWONAMDB-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.23
Rot. Bonds4

About 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39163580) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID39163580
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2nc(NCCN)n(C)c(=O)c12
InChIInChI=1S/C11H15N5O2S/c1-5-6-9(19-7(5)8(13)17)15-11(14-4-3-12)16(2)10(6)18/h3-4,12H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyCOKIGGAWONAMDB-UHFFFAOYSA-N
XLogP-0.23
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 39163578
N-(2-methoxyethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084684
4-(6-carbamoyl-5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896510
N-(2-aminoethyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 39161750
3-(2-cyanoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39159078
2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 44726072
N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084664
5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895850
N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084711
2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
2-(2-bromoethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 93213436
2-methoxyethyl 4-(2-aminoethylamino)-2-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82065587

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 39163580) is 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2nc(NCCN)n(C)c(=O)c12.
What is the InChIKey of 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is COKIGGAWONAMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-5-6-9(19-7(5)8(13)17)15-11(14-4-3-12)16(2)10(6)18/h3-4,12H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39163580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).