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

C13H24N4O — CID 112639107

IUPACN'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)c1nccc(OCCC)n1
InChIInChI=1S/C13H24N4O/c1-3-5-9-17(10-7-14)13-15-8-6-12(16-13)18-11-4-2/h6,8H,3-5,7,9-11,14H2,1-2H3
InChIKeyORVMSAFWJWRPJY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds9

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

N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112639107) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112639107
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)c1nccc(OCCC)n1
InChIInChI=1S/C13H24N4O/c1-3-5-9-17(10-7-14)13-15-8-6-12(16-13)18-11-4-2/h6,8H,3-5,7,9-11,14H2,1-2H3
InChIKeyORVMSAFWJWRPJY-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (CID 112639107) is N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is CCCCN(CCN)c1nccc(OCCC)n1.
What is the InChIKey of N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is ORVMSAFWJWRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-9-17(10-7-14)13-15-8-6-12(16-13)18-11-4-2/h6,8H,3-5,7,9-11,14H2,1-2H3.
What are the key properties of N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112639107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).