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

C20H26N4O2S — CID 87001149

IUPACN-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)C)nc2SC)cc1
InChIInChI=1S/C20H26N4O2S/c1-6-21-18(25)15-9-7-14(8-10-15)11-22-19(26)16-13(4)23-17(12(2)3)24-20(16)27-5/h7-10,12H,6,11H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyHHWZFDUXGONOLM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.31
Rot. Bonds7

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

N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 87001149) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID87001149
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)C)nc2SC)cc1
InChIInChI=1S/C20H26N4O2S/c1-6-21-18(25)15-9-7-14(8-10-15)11-22-19(26)16-13(4)23-17(12(2)3)24-20(16)27-5/h7-10,12H,6,11H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyHHWZFDUXGONOLM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78886060
4-methyl-N-(4-methylpentyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 86927368
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847820
4-methyl-N-[3-(N-methylanilino)propyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847888
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78864064
2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 134052941
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
N-[4-(furan-2-carbonylamino)phenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847772
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847672
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 87001149) is N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is CCNC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)C)nc2SC)cc1.
What is the InChIKey of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is HHWZFDUXGONOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-6-21-18(25)15-9-7-14(8-10-15)11-22-19(26)16-13(4)23-17(12(2)3)24-20(16)27-5/h7-10,12H,6,11H2,1-5H3,(H,21,25)(H,22,26).
What are the key properties of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 87001149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).