2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine

C16H21N5 — CID 82166143

IUPAC2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C16H21N5/c17-6-7-20-8-10-21(11-9-20)16-12-15(18-13-19-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2
InChIKeyBFWXIQODHXTJGB-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine

2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine (PubChem CID 82166143) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
PubChem CID82166143
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C16H21N5/c17-6-7-20-8-10-21(11-9-20)16-12-15(18-13-19-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2
InChIKeyBFWXIQODHXTJGB-UHFFFAOYSA-N
XLogP1.22
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 61225493
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine (CID 82166143) is 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine is NCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is BFWXIQODHXTJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-6-7-20-8-10-21(11-9-20)16-12-15(18-13-19-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2.
What are the key properties of 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 283.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 82166143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).