N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C15H17N3O2S — CID 20913550

IUPACN-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(SC)nc2C)cc1
InChIInChI=1S/C15H17N3O2S/c1-4-20-12-7-5-11(6-8-12)18-14(19)13-9-16-15(21-3)17-10(13)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyDYCNOSKQTZOUSB-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.16
Rot. Bonds5

About N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913550) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913550
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(SC)nc2C)cc1
InChIInChI=1S/C15H17N3O2S/c1-4-20-12-7-5-11(6-8-12)18-14(19)13-9-16-15(21-3)17-10(13)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyDYCNOSKQTZOUSB-UHFFFAOYSA-N
XLogP3.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
Sirt2-IN-6
CID 134820907
8-ethyl-2-[4-(2-methoxyethoxy)phenylamino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330215
2-Methylsulfanyl-pyrimidine-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 6489028
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
4-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)-2-(methylthio)pyrimidine-5-carboxamide
CID 16221868
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 72793334
6-(4-Methoxyanilino)quinazoline-5,8-dione
CID 130408058
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
Ethyl 4-amino-2-[({4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)thio]pyrimidine-5-carboxylate
CID 2014390
2-anilino-N-(4-methoxyphenyl)nicotinamide
CID 2219320

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913550) is N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(SC)nc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is DYCNOSKQTZOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-20-12-7-5-11(6-8-12)18-14(19)13-9-16-15(21-3)17-10(13)2/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).