4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine

C16H21N5 — CID 24996534

IUPAC4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
SMILESNc1nc(CCc2ccccc2)cc(N2CCNCC2)n1
InChIInChI=1S/C16H21N5/c17-16-19-14(7-6-13-4-2-1-3-5-13)12-15(20-16)21-10-8-18-9-11-21/h1-5,12,18H,6-11H2,(H2,17,19,20)
InChIKeyMECXMSUDNPPTGY-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.25
Rot. Bonds4

About 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine

4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 24996534) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID24996534
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
SMILESNc1nc(CCc2ccccc2)cc(N2CCNCC2)n1
InChIInChI=1S/C16H21N5/c17-16-19-14(7-6-13-4-2-1-3-5-13)12-15(20-16)21-10-8-18-9-11-21/h1-5,12,18H,6-11H2,(H2,17,19,20)
InChIKeyMECXMSUDNPPTGY-UHFFFAOYSA-N
XLogP1.25
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine (CID 24996534) is 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine is Nc1nc(CCc2ccccc2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is MECXMSUDNPPTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-16-19-14(7-6-13-4-2-1-3-5-13)12-15(20-16)21-10-8-18-9-11-21/h1-5,12,18H,6-11H2,(H2,17,19,20).
What are the key properties of 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine?
4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 24996534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).