N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide

C14H14ClN3O — CID 53080138

IUPACN-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C14H14ClN3O/c1-3-13-16-8-12(9(2)17-13)14(19)18-11-6-4-10(15)5-7-11/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyVTPLVMFJGTXTIL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.25
Rot. Bonds3

About N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide

N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide (PubChem CID 53080138) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
PubChem CID53080138
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C14H14ClN3O/c1-3-13-16-8-12(9(2)17-13)14(19)18-11-6-4-10(15)5-7-11/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyVTPLVMFJGTXTIL-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide
CID 100753605
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 66505352
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110084840
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide
CID 56694535
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 92636404

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide (CID 53080138) is N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide is CCc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is VTPLVMFJGTXTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-13-16-8-12(9(2)17-13)14(19)18-11-6-4-10(15)5-7-11/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 53080138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).