6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide

C19H21N3O2S — CID 17376490

IUPAC6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCSC1=NC(c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N1
InChIInChI=1S/C19H21N3O2S/c1-11-7-5-6-8-14(11)21-18(23)16-13(3)20-19(25-4)22-17(16)15-10-9-12(2)24-15/h5-10,17H,1-4H3,(H,20,22)(H,21,23)
InChIKeyDOMKHHWILYIEFY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.17
Rot. Bonds3

About 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide

6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 17376490) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID17376490
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCSC1=NC(c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N1
InChIInChI=1S/C19H21N3O2S/c1-11-7-5-6-8-14(11)21-18(23)16-13(3)20-19(25-4)22-17(16)15-10-9-12(2)24-15/h5-10,17H,1-4H3,(H,20,22)(H,21,23)
InChIKeyDOMKHHWILYIEFY-UHFFFAOYSA-N
XLogP4.17
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
CID 3439264
(4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40785476
(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide
CID 40640102
7-(5-bromofuran-2-yl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805589
(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
CID 1142232
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 4973038
(4S)-4-(2,6-difluorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8005259
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-(2-methylphenyl)-4-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide
CID 4893317
5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2840964
(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 7343055
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
(7R)-N-(2,4-dimethylphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135619474

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide (CID 17376490) is 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide is CSC1=NC(c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N1.
What is the InChIKey of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is DOMKHHWILYIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-7-5-6-8-14(11)21-18(23)16-13(3)20-19(25-4)22-17(16)15-10-9-12(2)24-15/h5-10,17H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 17376490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).