N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide

C18H22FN3O — CID 74240716

IUPACN-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)nc1C
InChIInChI=1S/C18H22FN3O/c1-4-5-10-22(12-15-6-8-16(19)9-7-15)18(23)17-11-20-14(3)21-13(17)2/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyMTRDTLKZAACULL-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.68
Rot. Bonds6

About N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide

N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 74240716) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID74240716
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)nc1C
InChIInChI=1S/C18H22FN3O/c1-4-5-10-22(12-15-6-8-16(19)9-7-15)18(23)17-11-20-14(3)21-13(17)2/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyMTRDTLKZAACULL-UHFFFAOYSA-N
XLogP3.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
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CID 50952079
N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide
CID 74237938
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
CID 55495175
N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 87011265
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 46991835
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 74240716) is N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide is CCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)nc1C.
What is the InChIKey of N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is MTRDTLKZAACULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-4-5-10-22(12-15-6-8-16(19)9-7-15)18(23)17-11-20-14(3)21-13(17)2/h6-9,11H,4-5,10,12H2,1-3H3.
What are the key properties of N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 74240716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).