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

C19H20N4O2S — CID 42889481

IUPAC4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
SMILESC=CCN1C(=S)NC(c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C
InChIInChI=1S/C19H20N4O2S/c1-4-10-23-13(3)16(18(24)20-15-11-12(2)25-22-15)17(21-19(23)26)14-8-6-5-7-9-14/h4-9,11,17H,1,10H2,2-3H3,(H,21,26)(H,20,22,24)
InChIKeyPMWXHCLFOAYPID-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.31
Rot. Bonds5

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

4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 42889481) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
PubChem CID42889481
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
SMILESC=CCN1C(=S)NC(c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C
InChIInChI=1S/C19H20N4O2S/c1-4-10-23-13(3)16(18(24)20-15-11-12(2)25-22-15)17(21-19(23)26)14-8-6-5-7-9-14/h4-9,11,17H,1,10H2,2-3H3,(H,21,26)(H,20,22,24)
InChIKeyPMWXHCLFOAYPID-UHFFFAOYSA-N
XLogP3.31
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(6S)-6-(2,6-difluorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41462854
(6R)-6-(2,4-difluorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 41462853
(6R)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 25414809
methyl 4-[4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate
CID 42935310
6-(3-cyanophenyl)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42935324
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)-3-cyclopropyl-6-(2-fluorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42029526
(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
6-[4-(difluoromethoxy)phenyl]-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42935322
3-cyclopropyl-6-(2,6-dichlorophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 24615439
(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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide (CID 42889481) is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide is C=CCN1C(=S)NC(c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C.
What is the InChIKey of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is PMWXHCLFOAYPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-4-10-23-13(3)16(18(24)20-15-11-12(2)25-22-15)17(21-19(23)26)14-8-6-5-7-9-14/h4-9,11,17H,1,10H2,2-3H3,(H,21,26)(H,20,22,24).
What are the key properties of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide?
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 42889481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).