2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C22H23FN4O — CID 109328218

IUPAC2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(F)cc2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-16-14-20(21(28)24-13-12-17-8-10-19(23)11-9-17)26-22(25-16)27(2)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,28)
InChIKeyCTGUREJWMGLJRV-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.53
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328218) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328218
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(F)cc2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-16-14-20(21(28)24-13-12-17-8-10-19(23)11-9-17)26-22(25-16)27(2)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,28)
InChIKeyCTGUREJWMGLJRV-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109328218) is 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccc(F)cc2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is CTGUREJWMGLJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-16-14-20(21(28)24-13-12-17-8-10-19(23)11-9-17)26-22(25-16)27(2)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,28).
What are the key properties of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).