6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H17N3OS — CID 2828593

IUPAC6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)NC(=S)N1
InChIInChI=1S/C18H17N3OS/c1-12-15(17(22)20-14-10-6-3-7-11-14)16(21-18(23)19-12)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,20,22)(H2,19,21,23)
InChIKeyXHVDKHPVDSMLJL-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.12
Rot. Bonds3

About 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2828593) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2828593
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)NC(=S)N1
InChIInChI=1S/C18H17N3OS/c1-12-15(17(22)20-14-10-6-3-7-11-14)16(21-18(23)19-12)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,20,22)(H2,19,21,23)
InChIKeyXHVDKHPVDSMLJL-UHFFFAOYSA-N
XLogP3.12
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-Phenyl-5-(phenylmethyl)-2-thioxo-4-imidazolidinone
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N-((4-(Dimethylamino)phenyl)carbamothioyl)benzenecarboximidic acid
CID 766937
(2S)-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 168274402
N-(4-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
CID 4388618
N-(1-p-Tolylthiocarbamoyl-piperidin-4-yl)-benzamide
CID 24792377
1-Methyl-4-phenyl-6-p-tolyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 620757
N-benzyl-2-(methylcarbamoylamino)benzamide
CID 665300
N-benzyl-2-({[(2-methylphenyl)amino]carbonyl}amino)benzamide
CID 1340032
2-({[(2-methylphenyl)amino]carbonyl}amino)-N-propylbenzamide
CID 2901556
2-fluoro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2828593) is 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)NC(=S)N1.
What is the InChIKey of 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is XHVDKHPVDSMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-15(17(22)20-14-10-6-3-7-11-14)16(21-18(23)19-12)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2828593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).