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

C13H23N5O — CID 66333920

IUPAC2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESCCOc1cc(N2CCN(CCN)CC2)nc(C)n1
InChIInChI=1S/C13H23N5O/c1-3-19-13-10-12(15-11(2)16-13)18-8-6-17(5-4-14)7-9-18/h10H,3-9,14H2,1-2H3
InChIKeyKQSIQWPZXNHNRP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.26
Rot. Bonds5

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

2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine (PubChem CID 66333920) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
PubChem CID66333920
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESCCOc1cc(N2CCN(CCN)CC2)nc(C)n1
InChIInChI=1S/C13H23N5O/c1-3-19-13-10-12(15-11(2)16-13)18-8-6-17(5-4-14)7-9-18/h10H,3-9,14H2,1-2H3
InChIKeyKQSIQWPZXNHNRP-UHFFFAOYSA-N
XLogP0.26
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine (CID 66333920) is 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine is CCOc1cc(N2CCN(CCN)CC2)nc(C)n1.
What is the InChIKey of 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is KQSIQWPZXNHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-19-13-10-12(15-11(2)16-13)18-8-6-17(5-4-14)7-9-18/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 66333920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).