2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde

C7H6N4OS — CID 143488193

IUPAC2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESNc1nc(N)c2cc(C=O)sc2n1
InChIInChI=1S/C7H6N4OS/c8-5-4-1-3(2-12)13-6(4)11-7(9)10-5/h1-2H,(H4,8,9,10,11)
InChIKeyZCEALOQXYUOOEA-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.67
Rot. Bonds1

About 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde

2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 143488193) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID143488193
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESNc1nc(N)c2cc(C=O)sc2n1
InChIInChI=1S/C7H6N4OS/c8-5-4-1-3(2-12)13-6(4)11-7(9)10-5/h1-2H,(H4,8,9,10,11)
InChIKeyZCEALOQXYUOOEA-UHFFFAOYSA-N
XLogP0.67
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde
CID 82395158
2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane
CID 143009743
2-amino-4-[5-(butylaminomethyl)-2-methylphenyl]thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylethanamine
CID 143009687
6-bromothieno[2,3-b]pyridine-2-carbaldehyde
CID 82387205
4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125453614
4-(dimethylamino)thieno[2,3-b]pyridine-2,5-dicarbaldehyde
CID 143431607
5-amino-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130956428
4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;methanamine;methoxymethane
CID 143159716
6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
CID 177202395
6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125451453
3,6-diamino-2-formylthieno[2,3-b]pyridine-5-carbonitrile
CID 129257425
3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 59278078

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde (CID 143488193) is 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde is Nc1nc(N)c2cc(C=O)sc2n1.
What is the InChIKey of 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is ZCEALOQXYUOOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-5-4-1-3(2-12)13-6(4)11-7(9)10-5/h1-2H,(H4,8,9,10,11).
What are the key properties of 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde?
2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 194.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 143488193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).