2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine

C18H25N5 — CID 112888381

IUPAC2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCN1CCN(c2nccc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C18H25N5/c1-3-22-11-13-23(14-12-22)18-19-10-9-17(21-18)20-15(2)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,19,20,21)
InChIKeyDVNDHGRZACXPNS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine

2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 112888381) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID112888381
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCN1CCN(c2nccc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C18H25N5/c1-3-22-11-13-23(14-12-22)18-19-10-9-17(21-18)20-15(2)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,19,20,21)
InChIKeyDVNDHGRZACXPNS-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

2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 144655908
2-[[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112888497
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888374
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890634

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (CID 112888381) is 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is CCN1CCN(c2nccc(NC(C)c3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is DVNDHGRZACXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-22-11-13-23(14-12-22)18-19-10-9-17(21-18)20-15(2)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
2-(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 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112888381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).