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

C20H15Cl2N5OS — CID 24738982

IUPAC5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C20H15Cl2N5OS/c1-24-20-26-16(10-7-8-12(21)13(22)9-10)14-15(23)17(29-19(14)27-20)18(28)25-11-5-3-2-4-6-11/h2-9H,23H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyGIUIGJCQKPQHHI-UHFFFAOYSA-N
MW444.35 g/mol
LogP5.54
Rot. Bonds4

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

5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24738982) has the molecular formula C20H15Cl2N5OS and a molecular weight of 444.35 g/mol. Its IUPAC name is 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24738982
Molecular FormulaC20H15Cl2N5OS
Molecular Weight444.35 g/mol
Exact Mass443.04
IUPAC Name5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C20H15Cl2N5OS/c1-24-20-26-16(10-7-8-12(21)13(22)9-10)14-15(23)17(29-19(14)27-20)18(28)25-11-5-3-2-4-6-11/h2-9H,23H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyGIUIGJCQKPQHHI-UHFFFAOYSA-N
XLogP5.54
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.35
LogP ≤ 55.54
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)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24738982) is 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide is CNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1.
What is the InChIKey of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GIUIGJCQKPQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5OS/c1-24-20-26-16(10-7-8-12(21)13(22)9-10)14-15(23)17(29-19(14)27-20)18(28)25-11-5-3-2-4-6-11/h2-9H,23H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 444.35 g/mol, XLogP of 5.54, 4 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)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24738982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).