1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine

C20H19FN4 — CID 56768031

IUPAC1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)C1
InChIInChI=1S/C20H19FN4/c21-17-9-5-4-8-16(17)20-23-18(14-6-2-1-3-7-14)12-19(24-20)25-11-10-15(22)13-25/h1-9,12,15H,10-11,13,22H2
InChIKeyODXWFYVMTPJHOD-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine

1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 56768031) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID56768031
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)C1
InChIInChI=1S/C20H19FN4/c21-17-9-5-4-8-16(17)20-23-18(14-6-2-1-3-7-14)12-19(24-20)25-11-10-15(22)13-25/h1-9,12,15H,10-11,13,22H2
InChIKeyODXWFYVMTPJHOD-UHFFFAOYSA-N
XLogP3.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768235
1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767507
1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
CID 154893497
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine
CID 56767086
1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 114697472
2-[6-(3-aminopyrrolidin-1-yl)-4-(2,6-dichlorophenyl)-2-pyridinyl]-4-fluorophenol
CID 137290828
1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one
CID 56767320
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine (CID 56768031) is 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine is NC1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is ODXWFYVMTPJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-17-9-5-4-8-16(17)20-23-18(14-6-2-1-3-7-14)12-19(24-20)25-11-10-15(22)13-25/h1-9,12,15H,10-11,13,22H2.
What are the key properties of 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine?
1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 334.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 56768031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).