2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine

C13H23N5O — CID 66318119

IUPAC2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESCCOc1cc(N2CCCN(CCN)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-2-19-13-10-12(15-11-16-13)18-6-3-5-17(7-4-14)8-9-18/h10-11H,2-9,14H2,1H3
InChIKeySJGGOBRZQPCGDV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.35
Rot. Bonds5

About 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine

2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine (PubChem CID 66318119) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
PubChem CID66318119
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESCCOc1cc(N2CCCN(CCN)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-2-19-13-10-12(15-11-16-13)18-6-3-5-17(7-4-14)8-9-18/h10-11H,2-9,14H2,1H3
InChIKeySJGGOBRZQPCGDV-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine (CID 66318119) is 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine is CCOc1cc(N2CCCN(CCN)CC2)ncn1.
What is the InChIKey of 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The InChIKey is SJGGOBRZQPCGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-19-13-10-12(15-11-16-13)18-6-3-5-17(7-4-14)8-9-18/h10-11H,2-9,14H2,1H3.
What are the key properties of 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 66318119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).