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

C18H19N3O2S — CID 40785476

IUPAC(4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)[C@H](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)/t16-/m0/s1
InChIKeyFLOUIKODXWEBEJ-INIZCTEOSA-N
MW341.44 g/mol
LogP3.33
Rot. Bonds3

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

(4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 40785476) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID40785476
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)[C@H](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)/t16-/m0/s1
InChIKeyFLOUIKODXWEBEJ-INIZCTEOSA-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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Related Compounds

6-methyl-4-(5-methylfuran-2-yl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2879627
4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2853735
(4S)-4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1038174
6-methyl-N-(2-methylphenyl)-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2866516
(4S)-4-(2,5-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1000122
4-(5-bromo-2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2852399
4-(3,4-diethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3946444
4-(furan-2-yl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23966093
6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
CID 17376490
(4S)-4-(2-bromophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989810
(4S)-N-(3-chloro-2-methylphenyl)-6-methyl-4-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7381176
(4R)-N-(2,3-dimethylphenyl)-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989763

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 40785476) is (4R)-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 (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-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@H](c2ccc(C)o2)NC(=S)N1.
What is the InChIKey of (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is FLOUIKODXWEBEJ-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-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 (4R)-6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 40785476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).