N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C20H19FN4 — CID 112934325

IUPACN-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3ccccc3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C20H19FN4/c21-16-9-6-10-17(13-16)22-19-14-18(15-7-2-1-3-8-15)23-20(24-19)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H,22,23,24)
InChIKeyJXUZEGMHYCYLDG-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.63
Rot. Bonds4

About N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112934325) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112934325
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC NameN-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3ccccc3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C20H19FN4/c21-16-9-6-10-17(13-16)22-19-14-18(15-7-2-1-3-8-15)23-20(24-19)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H,22,23,24)
InChIKeyJXUZEGMHYCYLDG-UHFFFAOYSA-N
XLogP4.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112926743
N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
CID 827706
N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934626
4-[(6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934337
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647
N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936417
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
2-[(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934646
N-(3-fluorophenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924064
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 11335230

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112934325) is N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is Fc1cccc(Nc2cc(-c3ccccc3)nc(N3CCCC3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JXUZEGMHYCYLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-16-9-6-10-17(13-16)22-19-14-18(15-7-2-1-3-8-15)23-20(24-19)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H,22,23,24).
What are the key properties of N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 334.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112934325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).