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

C20H19FN4 — CID 112934156

IUPACN-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C20H19FN4/c21-16-10-4-5-11-17(16)22-20-23-18(15-8-2-1-3-9-15)14-19(24-20)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2,(H,22,23,24)
InChIKeyYQKQWEQOCLDNDS-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.63
Rot. Bonds4

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

N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934156) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934156
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC NameN-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C20H19FN4/c21-16-10-4-5-11-17(16)22-20-23-18(15-8-2-1-3-9-15)14-19(24-20)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2,(H,22,23,24)
InChIKeyYQKQWEQOCLDNDS-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

N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934541
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
1-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194176
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
4-[2-(2-methoxyanilino)-6-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112936593
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934156) is N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is Fc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is YQKQWEQOCLDNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-16-10-4-5-11-17(16)22-20-23-18(15-8-2-1-3-9-15)14-19(24-20)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2,(H,22,23,24).
What are the key properties of N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-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-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).