ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine

C13H26N4 — CID 144504375

IUPACethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
SMILESCC.CCN(C)CCN(C)Cc1ncccn1
InChIInChI=1S/C11H20N4.C2H6/c1-4-14(2)8-9-15(3)10-11-12-6-5-7-13-11;1-2/h5-7H,4,8-10H2,1-3H3;1-2H3
InChIKeyVQZJNOXYGDXCGW-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.89
Rot. Bonds6

About ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine

ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 144504375) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
PubChem CID144504375
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Nameethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
SMILESCC.CCN(C)CCN(C)Cc1ncccn1
InChIInChI=1S/C11H20N4.C2H6/c1-4-14(2)8-9-15(3)10-11-12-6-5-7-13-11;1-2/h5-7H,4,8-10H2,1-3H3;1-2H3
InChIKeyVQZJNOXYGDXCGW-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine (CID 144504375) is ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine is CC.CCN(C)CCN(C)Cc1ncccn1.
What is the InChIKey of ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is VQZJNOXYGDXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.C2H6/c1-4-14(2)8-9-15(3)10-11-12-6-5-7-13-11;1-2/h5-7H,4,8-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 144504375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).