N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide

C15H16ClN3O — CID 92648544

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C15H16ClN3O/c1-9(12-4-6-13(16)7-5-12)19-15(20)14-8-17-11(3)18-10(14)2/h4-9H,1-3H3,(H,19,20)/t9-/m1/s1
InChIKeyVDXYPCCFBNBWCS-SECBINFHSA-N
MW289.77 g/mol
LogP3.24
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 92648544) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID92648544
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C15H16ClN3O/c1-9(12-4-6-13(16)7-5-12)19-15(20)14-8-17-11(3)18-10(14)2/h4-9H,1-3H3,(H,19,20)/t9-/m1/s1
InChIKeyVDXYPCCFBNBWCS-SECBINFHSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237023
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648552
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 850733
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 92648544) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is VDXYPCCFBNBWCS-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9(12-4-6-13(16)7-5-12)19-15(20)14-8-17-11(3)18-10(14)2/h4-9H,1-3H3,(H,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92648544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).