N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide

C18H15FN4O2S — CID 7162582

IUPACN-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide
SMILESCn1c(SCc2cccnc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H15FN4O2S/c1-23-17(25)15(16(24)22-14-6-4-13(19)5-7-14)10-21-18(23)26-11-12-3-2-8-20-9-12/h2-10H,11H2,1H3,(H,22,24)
InChIKeyZJFBYQFJJIKVGI-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.86
Rot. Bonds5

About N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide

N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide (PubChem CID 7162582) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide
PubChem CID7162582
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide
SMILESCn1c(SCc2cccnc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H15FN4O2S/c1-23-17(25)15(16(24)22-14-6-4-13(19)5-7-14)10-21-18(23)26-11-12-3-2-8-20-9-12/h2-10H,11H2,1H3,(H,22,24)
InChIKeyZJFBYQFJJIKVGI-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide (CID 7162582) is N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide is Cn1c(SCc2cccnc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide?
The InChIKey is ZJFBYQFJJIKVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-23-17(25)15(16(24)22-14-6-4-13(19)5-7-14)10-21-18(23)26-11-12-3-2-8-20-9-12/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 7162582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).