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

C26H24N4O3S — CID 42935272

IUPAC4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-6-(2-prop-2-ynoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
SMILESC#CCOc1ccccc1C1NC(=S)N(c2cccc(C)c2)C(C)=C1C(=O)Nc1cc(C)on1
InChIInChI=1S/C26H24N4O3S/c1-5-13-32-21-12-7-6-11-20(21)24-23(25(31)27-22-15-17(3)33-29-22)18(4)30(26(34)28-24)19-10-8-9-16(2)14-19/h1,6-12,14-15,24H,13H2,2-4H3,(H,28,34)(H,27,29,31)
InChIKeyVJFMALSJEWKDKI-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.65
Rot. Bonds6

About 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

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 (PubChem CID 42935272) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-6-(2-prop-2-ynoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
PubChem CID42935272
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-6-(2-prop-2-ynoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
SMILESC#CCOc1ccccc1C1NC(=S)N(c2cccc(C)c2)C(C)=C1C(=O)Nc1cc(C)on1
InChIInChI=1S/C26H24N4O3S/c1-5-13-32-21-12-7-6-11-20(21)24-23(25(31)27-22-15-17(3)33-29-22)18(4)30(26(34)28-24)19-10-8-9-16(2)14-19/h1,6-12,14-15,24H,13H2,2-4H3,(H,28,34)(H,27,29,31)
InChIKeyVJFMALSJEWKDKI-UHFFFAOYSA-N
XLogP4.65
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
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
(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)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 25414809
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
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
(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
methyl 2-[(6R)-6-(2-chlorophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-2-oxoacetate
CID 9242331
(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)-6-(2-fluorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41462841

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CCOc1ccccc1C1NC(=S)N(c2cccc(C)c2)C(C)=C1C(=O)Nc1cc(C)on1.
What is the InChIKey of 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?
The InChIKey is VJFMALSJEWKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-5-13-32-21-12-7-6-11-20(21)24-23(25(31)27-22-15-17(3)33-29-22)18(4)30(26(34)28-24)19-10-8-9-16(2)14-19/h1,6-12,14-15,24H,13H2,2-4H3,(H,28,34)(H,27,29,31).
What are the key properties of 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?
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 has a molecular weight of 472.57 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 42935272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).