N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide

C18H16FN5OS — CID 16660408

IUPACN-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCNc1nc(-c2ccncc2)nc(SC)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H16FN5OS/c1-20-16-14(17(25)22-13-5-3-12(19)4-6-13)18(26-2)24-15(23-16)11-7-9-21-10-8-11/h3-10H,1-2H3,(H,22,25)(H,20,23,24)
InChIKeyPDXIWNGLVMPMQV-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.69
Rot. Bonds5

About N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 16660408) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID16660408
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC NameN-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCNc1nc(-c2ccncc2)nc(SC)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H16FN5OS/c1-20-16-14(17(25)22-13-5-3-12(19)4-6-13)18(26-2)24-15(23-16)11-7-9-21-10-8-11/h3-10H,1-2H3,(H,22,25)(H,20,23,24)
InChIKeyPDXIWNGLVMPMQV-UHFFFAOYSA-N
XLogP3.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 16660408) is N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide is CNc1nc(-c2ccncc2)nc(SC)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is PDXIWNGLVMPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-20-16-14(17(25)22-13-5-3-12(19)4-6-13)18(26-2)24-15(23-16)11-7-9-21-10-8-11/h3-10H,1-2H3,(H,22,25)(H,20,23,24).
What are the key properties of N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 16660408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).