N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C21H22FN5 — CID 112859720

IUPACN-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C21H22FN5/c22-18-8-6-17(7-9-18)15-23-20-14-21(25-16-24-20)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2,(H,23,24,25)
InChIKeyOFALURPIXAATBT-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.55
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112859720) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112859720
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C21H22FN5/c22-18-8-6-17(7-9-18)15-23-20-14-21(25-16-24-20)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2,(H,23,24,25)
InChIKeyOFALURPIXAATBT-UHFFFAOYSA-N
XLogP3.55
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
6-N-[(4-fluorophenyl)methyl]-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112859815
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 112859761
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112859720) is N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Fc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is OFALURPIXAATBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c22-18-8-6-17(7-9-18)15-23-20-14-21(25-16-24-20)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2,(H,23,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 363.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112859720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).