N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine

C22H23FN4 — CID 112934497

IUPACN-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(CNc2nc(-c3ccccc3)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H23FN4/c23-19-11-9-17(10-12-19)16-24-22-25-20(18-7-3-1-4-8-18)15-21(26-22)27-13-5-2-6-14-27/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,25,26)
InChIKeyMYPGFUWXYOYUBA-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.89
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine

N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112934497) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID112934497
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(CNc2nc(-c3ccccc3)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H23FN4/c23-19-11-9-17(10-12-19)16-24-22-25-20(18-7-3-1-4-8-18)15-21(26-22)27-13-5-2-6-14-27/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,25,26)
InChIKeyMYPGFUWXYOYUBA-UHFFFAOYSA-N
XLogP4.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112917640
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine (CID 112934497) is N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine is Fc1ccc(CNc2nc(-c3ccccc3)cc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is MYPGFUWXYOYUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c23-19-11-9-17(10-12-19)16-24-22-25-20(18-7-3-1-4-8-18)15-21(26-22)27-13-5-2-6-14-27/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 362.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).