N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide

C17H21N3O — CID 77084278

IUPACN-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCCc1ccccc1C
InChIInChI=1S/C17H21N3O/c1-3-6-16-15(11-18-12-20-16)17(21)19-10-9-14-8-5-4-7-13(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,19,21)
InChIKeyMVWLPEBXGYFKHZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide

N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 77084278) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
PubChem CID77084278
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCCc1ccccc1C
InChIInChI=1S/C17H21N3O/c1-3-6-16-15(11-18-12-20-16)17(21)19-10-9-14-8-5-4-7-13(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,19,21)
InChIKeyMVWLPEBXGYFKHZ-UHFFFAOYSA-N
XLogP2.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 110852457
N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
5-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641754
(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 122565131
7-methyl-N-[2-(2-methylphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529239
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide (CID 77084278) is N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCCc1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is MVWLPEBXGYFKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-6-16-15(11-18-12-20-16)17(21)19-10-9-14-8-5-4-7-13(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide?
N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77084278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).