2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde

C13H9ClN4OS — CID 143513623

IUPAC2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C=O)sc2n1
InChIInChI=1S/C13H9ClN4OS/c14-7-3-1-6(2-4-7)11-9-10(15)8(5-19)20-12(9)18-13(16)17-11/h1-5H,15H2,(H2,16,17,18)
InChIKeyIEDXWMFNOAEMHR-UHFFFAOYSA-N
MW304.76 g/mol
LogP2.99
Rot. Bonds2

About 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde

2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 143513623) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID143513623
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC Name2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C=O)sc2n1
InChIInChI=1S/C13H9ClN4OS/c14-7-3-1-6(2-4-7)11-9-10(15)8(5-19)20-12(9)18-13(16)17-11/h1-5H,15H2,(H2,16,17,18)
InChIKeyIEDXWMFNOAEMHR-UHFFFAOYSA-N
XLogP2.99
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 52.99
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

5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine
CID 143513606
5-amino-4-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidine-6-carbothioic S-acid
CID 87957723
1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647295
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol
CID 143513636
2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
5-amino-4-(4-chlorophenyl)-2-(2-methoxyethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69303095
4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine
CID 11820477
4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
CID 1475305
2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 10709091
3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine
CID 143064281
5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
CID 143295061

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde (CID 143513623) is 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde is Nc1nc(-c2ccc(Cl)cc2)c2c(N)c(C=O)sc2n1.
What is the InChIKey of 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is IEDXWMFNOAEMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c14-7-3-1-6(2-4-7)11-9-10(15)8(5-19)20-12(9)18-13(16)17-11/h1-5H,15H2,(H2,16,17,18).
What are the key properties of 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde?
2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 304.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 143513623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).