3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

C20H31N3OS — CID 55386748

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CC3CCC2(C)C3(C)C)c(C)n1
InChIInChI=1S/C20H31N3OS/c1-12-15(13(2)22-18(21-12)25-6)7-8-17(24)23-16-11-14-9-10-20(16,5)19(14,3)4/h14,16H,7-11H2,1-6H3,(H,23,24)
InChIKeyRVHBLASOGGOCCH-UHFFFAOYSA-N
MW361.56 g/mol
LogP4.08
Rot. Bonds5

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (PubChem CID 55386748) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
PubChem CID55386748
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CC3CCC2(C)C3(C)C)c(C)n1
InChIInChI=1S/C20H31N3OS/c1-12-15(13(2)22-18(21-12)25-6)7-8-17(24)23-16-11-14-9-10-20(16,5)19(14,3)4/h14,16H,7-11H2,1-6H3,(H,23,24)
InChIKeyRVHBLASOGGOCCH-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide 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

N-cyclohexyl-3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanamide
CID 9138515
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 55533931
N-bicyclo[2.2.1]hept-2-yl-2-[(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)thio]acetamide
CID 2983446
3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-(3-methylbutan-2-yl)propanamide
CID 17410702
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
CID 2239439
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
CID 6594765
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
CID 7030139
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
CID 7372091
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
CID 7372092
N-[(1S)-1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 7669230
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 7669232
N-cyclopentyl-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanamide
CID 9209258

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (CID 55386748) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is CSc1nc(C)c(CCC(=O)NC2CC3CCC2(C)C3(C)C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The InChIKey is RVHBLASOGGOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-12-15(13(2)22-18(21-12)25-6)7-8-17(24)23-16-11-14-9-10-20(16,5)19(14,3)4/h14,16H,7-11H2,1-6H3,(H,23,24).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide has a molecular weight of 361.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is sourced from PubChem (CID 55386748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).