2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C22H19ClN4OS — CID 70841486

IUPAC2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(N)nc3sc(C(=O)N[C@H](C)c4ccccc4)cc23)c(Cl)c1
InChIInChI=1S/C22H19ClN4OS/c1-12-8-9-15(17(23)10-12)19-16-11-18(29-21(16)27-22(24)26-19)20(28)25-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,25,28)(H2,24,26,27)/t13-/m1/s1
InChIKeyYFOFAACDQUSWKY-CYBMUJFWSA-N
MW422.94 g/mol
LogP5.39
Rot. Bonds4

About 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 70841486) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID70841486
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC Name2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(N)nc3sc(C(=O)N[C@H](C)c4ccccc4)cc23)c(Cl)c1
InChIInChI=1S/C22H19ClN4OS/c1-12-8-9-15(17(23)10-12)19-16-11-18(29-21(16)27-22(24)26-19)20(28)25-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,25,28)(H2,24,26,27)/t13-/m1/s1
InChIKeyYFOFAACDQUSWKY-CYBMUJFWSA-N
XLogP5.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519323
2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 143009781
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519348
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11641062
2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519337
2-amino-4-(2,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519322
4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[[(1S)-1-phenylethyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]-5-methyl-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 101440815
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 20966526

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 70841486) is 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(N)nc3sc(C(=O)N[C@H](C)c4ccccc4)cc23)c(Cl)c1.
What is the InChIKey of 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YFOFAACDQUSWKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-12-8-9-15(17(23)10-12)19-16-11-18(29-21(16)27-22(24)26-19)20(28)25-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,25,28)(H2,24,26,27)/t13-/m1/s1.
What are the key properties of 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 70841486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).