N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine

C24H21FN4 — CID 4256015

IUPACN-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2cncc(-c3ccc(F)cc3)c2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C24H21FN4/c1-17-27-23(13-24(28-17)29(2)16-18-6-4-3-5-7-18)21-12-20(14-26-15-21)19-8-10-22(25)11-9-19/h3-15H,16H2,1-2H3
InChIKeyRDHCYVVWLHTAHM-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.29
Rot. Bonds5

About N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine

N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 4256015) has the molecular formula C24H21FN4 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID4256015
Molecular FormulaC24H21FN4
Molecular Weight384.46 g/mol
Exact Mass384.18
IUPAC NameN-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2cncc(-c3ccc(F)cc3)c2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C24H21FN4/c1-17-27-23(13-24(28-17)29(2)16-18-6-4-3-5-7-18)21-12-20(14-26-15-21)19-8-10-22(25)11-9-19/h3-15H,16H2,1-2H3
InChIKeyRDHCYVVWLHTAHM-UHFFFAOYSA-N
XLogP5.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine
CID 4259434
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 3472012
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
CID 19079462
4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 4625280
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-methylpyrimidin-4-yl]morpholine
CID 5087194
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
[6-[benzyl(methyl)amino]pyrazin-2-yl]methanol
CID 66466595
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 54943226
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine (CID 4256015) is N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine is Cc1nc(-c2cncc(-c3ccc(F)cc3)c2)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is RDHCYVVWLHTAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4/c1-17-27-23(13-24(28-17)29(2)16-18-6-4-3-5-7-18)21-12-20(14-26-15-21)19-8-10-22(25)11-9-19/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine?
N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 384.46 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[5-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 4256015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).