N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine

C11H19ClN4O — CID 80753181

IUPACN'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1nc(OC)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-4-13-6-7-16(5-2)10-9(12)8-14-11(15-10)17-3/h8,13H,4-7H2,1-3H3
InChIKeyVAGWCEVAAHNBHQ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.57
Rot. Bonds7

About N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine (PubChem CID 80753181) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
PubChem CID80753181
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1nc(OC)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-4-13-6-7-16(5-2)10-9(12)8-14-11(15-10)17-3/h8,13H,4-7H2,1-3H3
InChIKeyVAGWCEVAAHNBHQ-UHFFFAOYSA-N
XLogP1.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.57
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'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine (CID 80753181) is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)c1nc(OC)ncc1Cl.
What is the InChIKey of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is VAGWCEVAAHNBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-4-13-6-7-16(5-2)10-9(12)8-14-11(15-10)17-3/h8,13H,4-7H2,1-3H3.
What are the key properties of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine?
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 258.75 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 80753181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).