N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

C20H20FN5 — CID 112896423

IUPACN-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H20FN5/c21-16-6-8-17(9-7-16)23-20-22-11-10-19(24-20)26-14-12-25(13-15-26)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,22,23,24)
InChIKeyGQICYBLQDIRLHL-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.69
Rot. Bonds4

About N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112896423) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112896423
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC NameN-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H20FN5/c21-16-6-8-17(9-7-16)23-20-22-11-10-19(24-20)26-14-12-25(13-15-26)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,22,23,24)
InChIKeyGQICYBLQDIRLHL-UHFFFAOYSA-N
XLogP3.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896582
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888637
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
N-(3-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898966
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (CID 112896423) is N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is GQICYBLQDIRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-16-6-8-17(9-7-16)23-20-22-11-10-19(24-20)26-14-12-25(13-15-26)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,22,23,24).
What are the key properties of N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 349.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112896423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).