2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine

C13H23N5 — CID 63986417

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
SMILESCC(C)N1CCN(C(CN)c2ccncn2)CC1
InChIInChI=1S/C13H23N5/c1-11(2)17-5-7-18(8-6-17)13(9-14)12-3-4-15-10-16-12/h3-4,10-11,13H,5-9,14H2,1-2H3
InChIKeyAABSJMMONSYGJW-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.50
Rot. Bonds4

About 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine

2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine (PubChem CID 63986417) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
PubChem CID63986417
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
SMILESCC(C)N1CCN(C(CN)c2ccncn2)CC1
InChIInChI=1S/C13H23N5/c1-11(2)17-5-7-18(8-6-17)13(9-14)12-3-4-15-10-16-12/h3-4,10-11,13H,5-9,14H2,1-2H3
InChIKeyAABSJMMONSYGJW-UHFFFAOYSA-N
XLogP0.50
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine (CID 63986417) is 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine is CC(C)N1CCN(C(CN)c2ccncn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
The InChIKey is AABSJMMONSYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)17-5-7-18(8-6-17)13(9-14)12-3-4-15-10-16-12/h3-4,10-11,13H,5-9,14H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63986417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).