4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

C17H21N5 — CID 50983078

IUPAC4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC=Cc1cccc(CN2CCN(c3ccnc(N)n3)CC2)c1
InChIInChI=1S/C17H21N5/c1-2-14-4-3-5-15(12-14)13-21-8-10-22(11-9-21)16-6-7-19-17(18)20-16/h2-7,12H,1,8-11,13H2,(H2,18,19,20)
InChIKeyQIYDNMGQJREEOX-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.02
Rot. Bonds4

About 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 50983078) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID50983078
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC=Cc1cccc(CN2CCN(c3ccnc(N)n3)CC2)c1
InChIInChI=1S/C17H21N5/c1-2-14-4-3-5-15(12-14)13-21-8-10-22(11-9-21)16-6-7-19-17(18)20-16/h2-7,12H,1,8-11,13H2,(H2,18,19,20)
InChIKeyQIYDNMGQJREEOX-UHFFFAOYSA-N
XLogP2.02
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50948434
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901
4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 45220184
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052717
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 50983078) is 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine is C=Cc1cccc(CN2CCN(c3ccnc(N)n3)CC2)c1.
What is the InChIKey of 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is QIYDNMGQJREEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-14-4-3-5-15(12-14)13-21-8-10-22(11-9-21)16-6-7-19-17(18)20-16/h2-7,12H,1,8-11,13H2,(H2,18,19,20).
What are the key properties of 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 50983078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).