4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C19H21FN4OS — CID 4054118

IUPAC4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1ncnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12
InChIInChI=1S/C19H21FN4OS/c1-5-24(6-2)17-15-12(4)16(26-19(15)22-10-21-17)18(25)23-13-8-7-11(3)14(20)9-13/h7-10H,5-6H2,1-4H3,(H,23,25)
InChIKeyCSNHZCXEIARXBZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.55
Rot. Bonds5

About 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4054118) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4054118
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1ncnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12
InChIInChI=1S/C19H21FN4OS/c1-5-24(6-2)17-15-12(4)16(26-19(15)22-10-21-17)18(25)23-13-8-7-11(3)14(20)9-13/h7-10H,5-6H2,1-4H3,(H,23,25)
InChIKeyCSNHZCXEIARXBZ-UHFFFAOYSA-N
XLogP4.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 23911887
4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4547744
N-(3,4-difluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344891
4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126466712
3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
CID 46365100
4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4060266
N-(5-fluoro-2-methylphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 20969343
N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3586131
N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33475880
N-(4-chlorophenyl)-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363786
N-(3-chloro-4-fluorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4156050
[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4534824

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 4054118) is 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)c1ncnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12.
What is the InChIKey of 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CSNHZCXEIARXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-5-24(6-2)17-15-12(4)16(26-19(15)22-10-21-17)18(25)23-13-8-7-11(3)14(20)9-13/h7-10H,5-6H2,1-4H3,(H,23,25).
What are the key properties of 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4054118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).