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

C22H23FN4 — CID 112880106

IUPACN-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESFc1ccccc1CNc1cc(N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4/c23-19-12-6-5-11-18(19)16-24-20-15-21(27-13-7-2-8-14-27)26-22(25-20)17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2,(H,24,25,26)
InChIKeyNZUUNTRCTRUUNI-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.89
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112880106) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112880106
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESFc1ccccc1CNc1cc(N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4/c23-19-12-6-5-11-18(19)16-24-20-15-21(27-13-7-2-8-14-27)26-22(25-20)17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2,(H,24,25,26)
InChIKeyNZUUNTRCTRUUNI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854
4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 134091443
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112880106) is N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine is Fc1ccccc1CNc1cc(N2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is NZUUNTRCTRUUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c23-19-12-6-5-11-18(19)16-24-20-15-21(27-13-7-2-8-14-27)26-22(25-20)17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2,(H,24,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-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-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112880106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).