N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5O — CID 112862274

IUPACN-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C22H25N5O/c1-2-28-20-10-8-18(9-11-20)25-21-16-22(24-17-23-21)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3,(H,23,24,25)
InChIKeyYXZBWGROMOPLTQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.95
Rot. Bonds6

About N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112862274) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112862274
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C22H25N5O/c1-2-28-20-10-8-18(9-11-20)25-21-16-22(24-17-23-21)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3,(H,23,24,25)
InChIKeyYXZBWGROMOPLTQ-UHFFFAOYSA-N
XLogP3.95
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
1-[4-[6-(4-ethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858484
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
N-(4-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 57399456
1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112862274) is N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CCOc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is YXZBWGROMOPLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-28-20-10-8-18(9-11-20)25-21-16-22(24-17-23-21)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3,(H,23,24,25).
What are the key properties of N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112862274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).