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

C15H14Cl2N6OS — CID 24737709

IUPAC5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C15H14Cl2N6OS/c16-7-2-1-6(5-8(7)17)11-9-10(19)12(13(20)24)25-14(9)23-15(22-11)21-4-3-18/h1-2,5H,3-4,18-19H2,(H2,20,24)(H,21,22,23)
InChIKeyCGJFBVAQFCVHQT-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.72
Rot. Bonds5

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

5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24737709) has the molecular formula C15H14Cl2N6OS and a molecular weight of 397.29 g/mol. Its IUPAC name is 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24737709
Molecular FormulaC15H14Cl2N6OS
Molecular Weight397.29 g/mol
Exact Mass396.03
IUPAC Name5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C15H14Cl2N6OS/c16-7-2-1-6(5-8(7)17)11-9-10(19)12(13(20)24)25-14(9)23-15(22-11)21-4-3-18/h1-2,5H,3-4,18-19H2,(H2,20,24)(H,21,22,23)
InChIKeyCGJFBVAQFCVHQT-UHFFFAOYSA-N
XLogP2.72
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24737709) is 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CGJFBVAQFCVHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6OS/c16-7-2-1-6(5-8(7)17)11-9-10(19)12(13(20)24)25-14(9)23-15(22-11)21-4-3-18/h1-2,5H,3-4,18-19H2,(H2,20,24)(H,21,22,23).
What are the key properties of 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 397.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-aminoethylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24737709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).