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

C22H25N5 — CID 112859300

IUPACN-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccccc1
InChIInChI=1S/C22H25N5/c1-18(19-8-4-2-5-9-19)25-21-16-22(24-17-23-21)27-14-12-26(13-15-27)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3,(H,23,24,25)
InChIKeyBZFJGFCSGYTPGR-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.98
Rot. Bonds5

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

N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112859300) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112859300
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccccc1
InChIInChI=1S/C22H25N5/c1-18(19-8-4-2-5-9-19)25-21-16-22(24-17-23-21)27-14-12-26(13-15-27)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3,(H,23,24,25)
InChIKeyBZFJGFCSGYTPGR-UHFFFAOYSA-N
XLogP3.98
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859315
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112859300) is N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CC(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is BZFJGFCSGYTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-18(19-8-4-2-5-9-19)25-21-16-22(24-17-23-21)27-14-12-26(13-15-27)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3,(H,23,24,25).
What are the key properties of N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112859300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).