4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide

C20H26N4O2S — CID 78885788

IUPAC4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1
InChIInChI=1S/C20H26N4O2S/c1-6-10-21-18(25)14-8-7-9-15(11-14)23-19(26)16-13(4)22-17(12(2)3)24-20(16)27-5/h7-9,11-12H,6,10H2,1-5H3,(H,21,25)(H,23,26)
InChIKeySYVWSBDTYJZXRB-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.02
Rot. Bonds7

About 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide

4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 78885788) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide
PubChem CID78885788
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1
InChIInChI=1S/C20H26N4O2S/c1-6-10-21-18(25)14-8-7-9-15(11-14)23-19(26)16-13(4)22-17(12(2)3)24-20(16)27-5/h7-9,11-12H,6,10H2,1-5H3,(H,21,25)(H,23,26)
InChIKeySYVWSBDTYJZXRB-UHFFFAOYSA-N
XLogP4.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide 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

3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46474322
4-methyl-6-methylsulfanyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 78885562
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
4-methyl-N-[3-(N-methylanilino)propyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847888
3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806832
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide (CID 78885788) is 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is SYVWSBDTYJZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-6-10-21-18(25)14-8-7-9-15(11-14)23-19(26)16-13(4)22-17(12(2)3)24-20(16)27-5/h7-9,11-12H,6,10H2,1-5H3,(H,21,25)(H,23,26).
What are the key properties of 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide?
4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 78885788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).