5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C14H11Cl2N5OS — CID 24738495

IUPAC5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H11Cl2N5OS/c1-19-14-20-10(5-2-3-6(15)7(16)4-5)8-9(17)11(12(18)22)23-13(8)21-14/h2-4H,17H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyLDKCNCXJCVADEV-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.39
Rot. Bonds3

About 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24738495) has the molecular formula C14H11Cl2N5OS and a molecular weight of 368.25 g/mol. Its IUPAC name is 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24738495
Molecular FormulaC14H11Cl2N5OS
Molecular Weight368.25 g/mol
Exact Mass367.01
IUPAC Name5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H11Cl2N5OS/c1-19-14-20-10(5-2-3-6(15)7(16)4-5)8-9(17)11(12(18)22)23-13(8)21-14/h2-4H,17H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyLDKCNCXJCVADEV-UHFFFAOYSA-N
XLogP3.39
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24738495) is 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LDKCNCXJCVADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5OS/c1-19-14-20-10(5-2-3-6(15)7(16)4-5)8-9(17)11(12(18)22)23-13(8)21-14/h2-4H,17H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 368.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24738495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).