1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

C16H21N5 — CID 18069562

IUPAC1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESNC(CN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C16H21N5/c17-15(14-5-2-1-3-6-14)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h1-8,15H,9-13,17H2
InChIKeyLXNRYYNFTKARQB-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.30
Rot. Bonds4

About 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (PubChem CID 18069562) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
PubChem CID18069562
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESNC(CN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C16H21N5/c17-15(14-5-2-1-3-6-14)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h1-8,15H,9-13,17H2
InChIKeyLXNRYYNFTKARQB-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 12052820
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 42909864
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
CID 18993057
2-(1,4-diazepan-1-yl)-1-phenylethanamine
CID 63771215
2-(4-pentadecylpiperazin-1-yl)-1-phenylethanamine;hydrochloride
CID 139602937
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
CID 63771217

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (CID 18069562) is 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is NC(CN1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is LXNRYYNFTKARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-15(14-5-2-1-3-6-14)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h1-8,15H,9-13,17H2.
What are the key properties of 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 18069562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).