5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C23H24N2O3S — CID 170855641

IUPAC5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cccc(C)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-15-7-6-8-16(2)20(15)29-22-19(18-11-12-18)21(26)24-23(27)25(22)14-28-13-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,24,26,27)
InChIKeyHONMPSGNFXHQKJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.36
Rot. Bonds7

About 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 170855641) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID170855641
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cccc(C)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-15-7-6-8-16(2)20(15)29-22-19(18-11-12-18)21(26)24-23(27)25(22)14-28-13-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,24,26,27)
InChIKeyHONMPSGNFXHQKJ-UHFFFAOYSA-N
XLogP4.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)sulfanyl-5-cyclopropyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 170855492
5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 127047090
5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
5-methyl-1-[(5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 139721718
6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 172877298
8-methyl-1-(phenylmethoxymethyl)-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione
CID 506485
5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964463
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 141371447
5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 54768279
6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione
CID 25199123
2-[(5-methyl-2,4-dioxo-6-phenylsulfanylpyrimidin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate
CID 10647744

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 170855641) is 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1cccc(C)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1.
What is the InChIKey of 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is HONMPSGNFXHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15-7-6-8-16(2)20(15)29-22-19(18-11-12-18)21(26)24-23(27)25(22)14-28-13-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,24,26,27).
What are the key properties of 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 408.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 170855641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).