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

C15H13Cl2N5OS — CID 24738661

IUPAC5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C15H13Cl2N5OS/c1-19-13(23)12-10(18)9-11(6-3-4-7(16)8(17)5-6)21-15(20-2)22-14(9)24-12/h3-5H,18H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyGEHLFIHASBPCJY-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.65
Rot. Bonds3

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

5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24738661) has the molecular formula C15H13Cl2N5OS and a molecular weight of 382.28 g/mol. Its IUPAC name is 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24738661
Molecular FormulaC15H13Cl2N5OS
Molecular Weight382.28 g/mol
Exact Mass381.02
IUPAC Name5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C15H13Cl2N5OS/c1-19-13(23)12-10(18)9-11(6-3-4-7(16)8(17)5-6)21-15(20-2)22-14(9)24-12/h3-5H,18H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyGEHLFIHASBPCJY-UHFFFAOYSA-N
XLogP3.65
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738982
5-amino-N-methyl-2-(methylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738165
1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647170
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
3-[[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]propanamide
CID 59647340
5-amino-4-(3,4-dichlorophenyl)-2-(1-hydroxypropan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647009
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118
1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647295
5-amino-4-(3,4-dichlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647058
5-amino-4-(3,4-dichlorophenyl)-2-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71131626
[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 24739128

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24738661) is 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GEHLFIHASBPCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5OS/c1-19-13(23)12-10(18)9-11(6-3-4-7(16)8(17)5-6)21-15(20-2)22-14(9)24-12/h3-5H,18H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 382.28 g/mol, XLogP of 3.65, 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)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).