N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine

C11H21N5O — CID 66333205

IUPACN'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCOc1cc(N(CCN)CCN)ncn1
InChIInChI=1S/C11H21N5O/c1-2-7-17-11-8-10(14-9-15-11)16(5-3-12)6-4-13/h8-9H,2-7,12-13H2,1H3
InChIKeyIQVLZUCNSGRULY-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.01
Rot. Bonds8

About N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66333205) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66333205
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCOc1cc(N(CCN)CCN)ncn1
InChIInChI=1S/C11H21N5O/c1-2-7-17-11-8-10(14-9-15-11)16(5-3-12)6-4-13/h8-9H,2-7,12-13H2,1H3
InChIKeyIQVLZUCNSGRULY-UHFFFAOYSA-N
XLogP-0.01
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine (CID 66333205) is N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine is CCCOc1cc(N(CCN)CCN)ncn1.
What is the InChIKey of N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is IQVLZUCNSGRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-7-17-11-8-10(14-9-15-11)16(5-3-12)6-4-13/h8-9H,2-7,12-13H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 239.32 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66333205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).