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

C15H12Cl2N4O2S — CID 59519348

IUPAC2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)NCCO)sc2n1
InChIInChI=1S/C15H12Cl2N4O2S/c16-7-1-2-8(10(17)5-7)12-9-6-11(13(23)19-3-4-22)24-14(9)21-15(18)20-12/h1-2,5-6,22H,3-4H2,(H,19,23)(H2,18,20,21)
InChIKeySSPIISBYSRGJBJ-UHFFFAOYSA-N
MW383.26 g/mol
LogP2.97
Rot. Bonds4

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

2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519348) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519348
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)NCCO)sc2n1
InChIInChI=1S/C15H12Cl2N4O2S/c16-7-1-2-8(10(17)5-7)12-9-6-11(13(23)19-3-4-22)24-14(9)21-15(18)20-12/h1-2,5-6,22H,3-4H2,(H,19,23)(H2,18,20,21)
InChIKeySSPIISBYSRGJBJ-UHFFFAOYSA-N
XLogP2.97
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59519348) is 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)NCCO)sc2n1.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SSPIISBYSRGJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c16-7-1-2-8(10(17)5-7)12-9-6-11(13(23)19-3-4-22)24-14(9)21-15(18)20-12/h1-2,5-6,22H,3-4H2,(H,19,23)(H2,18,20,21).
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 383.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).