6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H19N3O2S — CID 3469386

IUPAC6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)NC(=S)N1
InChIInChI=1S/C18H19N3O2S/c1-10-6-4-5-7-13(10)20-17(22)15-12(3)19-18(24)21-16(15)14-9-8-11(2)23-14/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,24)
InChIKeyFLOUIKODXWEBEJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.33
Rot. Bonds3

About 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3469386) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID3469386
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)NC(=S)N1
InChIInChI=1S/C18H19N3O2S/c1-10-6-4-5-7-13(10)20-17(22)15-12(3)19-18(24)21-16(15)14-9-8-11(2)23-14/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,24)
InChIKeyFLOUIKODXWEBEJ-UHFFFAOYSA-N
XLogP3.33
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3469386) is 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)NC(=S)N1.
What is the InChIKey of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is FLOUIKODXWEBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-10-6-4-5-7-13(10)20-17(22)15-12(3)19-18(24)21-16(15)14-9-8-11(2)23-14/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,24).
What are the key properties of 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3469386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).