N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

C20H19ClFN5 — CID 112898527

IUPACN-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccccc1N1CCN(c2nccc(Nc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H19ClFN5/c21-15-5-7-16(8-6-15)24-19-9-10-23-20(25-19)27-13-11-26(12-14-27)18-4-2-1-3-17(18)22/h1-10H,11-14H2,(H,23,24,25)
InChIKeyQSFNJUKAJVWAGU-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.34
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112898527) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112898527
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccccc1N1CCN(c2nccc(Nc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H19ClFN5/c21-15-5-7-16(8-6-15)24-19-9-10-23-20(25-19)27-13-11-26(12-14-27)18-4-2-1-3-17(18)22/h1-10H,11-14H2,(H,23,24,25)
InChIKeyQSFNJUKAJVWAGU-UHFFFAOYSA-N
XLogP4.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898542
N-(4-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898350
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898551
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898510
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898349
ethyl 4-[4-(4-chloroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898016

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112898527) is N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Fc1ccccc1N1CCN(c2nccc(Nc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is QSFNJUKAJVWAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5/c21-15-5-7-16(8-6-15)24-19-9-10-23-20(25-19)27-13-11-26(12-14-27)18-4-2-1-3-17(18)22/h1-10H,11-14H2,(H,23,24,25).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 383.86 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112898527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).