2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide

C22H18N4O2S — CID 56530071

IUPAC2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C22H18N4O2S/c1-14-19(22(29-2)26-20(24-14)17-9-6-12-28-17)21(27)25-18-11-10-16(13-23-18)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,23,25,27)
InChIKeyIIQMUORVTYSJMK-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.08
Rot. Bonds5

About 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide

2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 56530071) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID56530071
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C22H18N4O2S/c1-14-19(22(29-2)26-20(24-14)17-9-6-12-28-17)21(27)25-18-11-10-16(13-23-18)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,23,25,27)
InChIKeyIIQMUORVTYSJMK-UHFFFAOYSA-N
XLogP5.08
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide (CID 56530071) is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is IIQMUORVTYSJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-19(22(29-2)26-20(24-14)17-9-6-12-28-17)21(27)25-18-11-10-16(13-23-18)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,23,25,27).
What are the key properties of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 56530071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).