(6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

C23H22N4O3S — CID 41462416

IUPAC(6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
SMILESCOc1ccccc1[C@H]1NC(=S)N(c2ccccc2)C(C)=C1C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H22N4O3S/c1-14-13-19(26-30-14)24-22(28)20-15(2)27(16-9-5-4-6-10-16)23(31)25-21(20)17-11-7-8-12-18(17)29-3/h4-13,21H,1-3H3,(H,25,31)(H,24,26,28)/t21-/m1/s1
InChIKeyOVAREKMZBAILCA-OAQYLSRUSA-N
MW434.52 g/mol
LogP4.34
Rot. Bonds5

About (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

(6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 41462416) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
PubChem CID41462416
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name(6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
SMILESCOc1ccccc1[C@H]1NC(=S)N(c2ccccc2)C(C)=C1C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H22N4O3S/c1-14-13-19(26-30-14)24-22(28)20-15(2)27(16-9-5-4-6-10-16)23(31)25-21(20)17-11-7-8-12-18(17)29-3/h4-13,21H,1-3H3,(H,25,31)(H,24,26,28)/t21-/m1/s1
InChIKeyOVAREKMZBAILCA-OAQYLSRUSA-N
XLogP4.34
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-hydroxy-4-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42935201
(6R)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41462426
(6R)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 25414809
(6S)-6-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41463095
(6R)-3-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-prop-2-ynoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41463122
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-6-(2-prop-2-ynoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42935272
6-(2-chlorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 24615405
(6R)-3-(4-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41464350
(6R)-3-cyclopropyl-6-(2-fluorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42029526
3-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 24615370
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42994816
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 17494874

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide (CID 41462416) is (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide is COc1ccccc1[C@H]1NC(=S)N(c2ccccc2)C(C)=C1C(=O)Nc1cc(C)on1.
What is the InChIKey of (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is OVAREKMZBAILCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-13-19(26-30-14)24-22(28)20-15(2)27(16-9-5-4-6-10-16)23(31)25-21(20)17-11-7-8-12-18(17)29-3/h4-13,21H,1-3H3,(H,25,31)(H,24,26,28)/t21-/m1/s1.
What are the key properties of (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
(6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methoxyphenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 41462416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).