N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide

C18H18FN3O2S — CID 23911887

IUPACN-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1cnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c2c1=O
InChIInChI=1S/C18H18FN3O2S/c1-4-7-22-9-20-17-14(18(22)24)11(3)15(25-17)16(23)21-12-6-5-10(2)13(19)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,21,23)
InChIKeyLSDJIQNJSKZLCQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.88
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide

N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23911887) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23911887
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1cnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c2c1=O
InChIInChI=1S/C18H18FN3O2S/c1-4-7-22-9-20-17-14(18(22)24)11(3)15(25-17)16(23)21-12-6-5-10(2)13(19)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,21,23)
InChIKeyLSDJIQNJSKZLCQ-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7104056
N-(3-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4192764
4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4054118
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1078301
N-(3-chlorophenyl)-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15992768
3-ethyl-N-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5142859
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23966738
N-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4518303
3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40828625
N-(3-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5046536
3-benzyl-N-(4-butoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110499662
3-[(3-fluorophenyl)methyl]-5-methyl-N-(3-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4199776

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide (CID 23911887) is N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide is CCCn1cnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c2c1=O.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LSDJIQNJSKZLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-4-7-22-9-20-17-14(18(22)24)11(3)15(25-17)16(23)21-12-6-5-10(2)13(19)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23911887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).