N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine

C13H24N4O — CID 112639135

IUPACN,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCNCCN(CC)c1nccc(OC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-14-9-10-17(6-2)13-15-8-7-12(16-13)18-11(3)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyILAJPHCVWTYLNQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds8

About N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine

N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112639135) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112639135
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCNCCN(CC)c1nccc(OC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-14-9-10-17(6-2)13-15-8-7-12(16-13)18-11(3)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyILAJPHCVWTYLNQ-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine (CID 112639135) is N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine is CCNCCN(CC)c1nccc(OC(C)C)n1.
What is the InChIKey of N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is ILAJPHCVWTYLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-14-9-10-17(6-2)13-15-8-7-12(16-13)18-11(3)4/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112639135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).