N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

C20H26N4O2S — CID 78886060

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1
InChIInChI=1S/C20H26N4O2S/c1-7-21-18(25)14-9-8-12(4)15(10-14)23-19(26)16-13(5)22-17(11(2)3)24-20(16)27-6/h8-11H,7H2,1-6H3,(H,21,25)(H,23,26)
InChIKeyXHIVVSKPDJNTNT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.94
Rot. Bonds6

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 78886060) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID78886060
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1
InChIInChI=1S/C20H26N4O2S/c1-7-21-18(25)14-9-8-12(4)15(10-14)23-19(26)16-13(5)22-17(11(2)3)24-20(16)27-6/h8-11H,7H2,1-6H3,(H,21,25)(H,23,26)
InChIKeyXHIVVSKPDJNTNT-UHFFFAOYSA-N
XLogP3.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 87001149
4-methyl-6-methylsulfanyl-2-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrimidine-5-carboxamide
CID 78885788
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide
CID 131934850
4-methyl-N-(4-methylpentyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 86927368
4-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78861814
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847672
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-ethyl-4-methylbenzamide
CID 61178101
N-[4-(furan-2-carbonylamino)phenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847772

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 78886060) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is XHIVVSKPDJNTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-7-21-18(25)14-9-8-12(4)15(10-14)23-19(26)16-13(5)22-17(11(2)3)24-20(16)27-6/h8-11H,7H2,1-6H3,(H,21,25)(H,23,26).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 78886060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).