N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C20H19F2N5 — CID 112862304

IUPACN-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESFc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1F
InChIInChI=1S/C20H19F2N5/c21-17-7-6-15(12-18(17)22)25-19-13-20(24-14-23-19)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,23,24,25)
InChIKeyOECJNIIPRSLFQC-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.83
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112862304) has the molecular formula C20H19F2N5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112862304
Molecular FormulaC20H19F2N5
Molecular Weight367.40 g/mol
Exact Mass367.16
IUPAC NameN-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESFc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1F
InChIInChI=1S/C20H19F2N5/c21-17-7-6-15(12-18(17)22)25-19-13-20(24-14-23-19)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,23,24,25)
InChIKeyOECJNIIPRSLFQC-UHFFFAOYSA-N
XLogP3.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine
CID 112863146
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-(1,3-benzodioxol-5-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112862343
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112862304) is N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Fc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is OECJNIIPRSLFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5/c21-17-7-6-15(12-18(17)22)25-19-13-20(24-14-23-19)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,23,24,25).
What are the key properties of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 367.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112862304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).