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

C18H25N5 — CID 112858031

IUPAC6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(NC(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H25N5/c1-3-22-9-11-23(12-10-22)18-13-17(19-14-20-18)21-15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,19,20,21)
InChIKeyJEQWASXPQWFJRI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.79
Rot. Bonds5

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

6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 112858031) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID112858031
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(NC(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H25N5/c1-3-22-9-11-23(12-10-22)18-13-17(19-14-20-18)21-15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,19,20,21)
InChIKeyJEQWASXPQWFJRI-UHFFFAOYSA-N
XLogP2.79
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859315
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858113
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (CID 112858031) is 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is CCN1CCN(c2cc(NC(C)c3ccccc3)ncn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is JEQWASXPQWFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-22-9-11-23(12-10-22)18-13-17(19-14-20-18)21-15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112858031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).