5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide

C17H16ClN5OS — CID 24739451

IUPAC5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C17H16ClN5OS/c1-20-15(24)14-12(19)11-13(8-2-4-9(18)5-3-8)22-17(21-10-6-7-10)23-16(11)25-14/h2-5,10H,6-7,19H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyNJRLNMRNMBWPGC-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.53
Rot. Bonds4

About 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24739451) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24739451
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C17H16ClN5OS/c1-20-15(24)14-12(19)11-13(8-2-4-9(18)5-3-8)22-17(21-10-6-7-10)23-16(11)25-14/h2-5,10H,6-7,19H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyNJRLNMRNMBWPGC-UHFFFAOYSA-N
XLogP3.53
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647302
1-[5-amino-2-(cyclopropylamino)-4-[4-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647299
1-[3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]phenyl]-3-(4-chlorophenyl)urea
CID 59647341
5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24738661
5-amino-N-methyl-2-(methylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738165
1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647295
5-amino-4-(4-chlorophenyl)-2-(2-methoxyethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69303095
1-[5-amino-4-(3H-benzimidazol-5-yl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647373
[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 24739128
5-amino-4-(3,4-dichlorophenyl)-2-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71131626
5-amino-4-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidine-6-carbothioic S-acid
CID 87957723
tert-butyl (3R)-3-[[5-amino-6-carbamoyl-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 86617287

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24739451) is 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NJRLNMRNMBWPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-20-15(24)14-12(19)11-13(8-2-4-9(18)5-3-8)22-17(21-10-6-7-10)23-16(11)25-14/h2-5,10H,6-7,19H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24739451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).