N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine

C9H16N4 — CID 62763082

IUPACN',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1cncnc1
InChIInChI=1S/C9H16N4/c1-13(2)4-3-10-5-9-6-11-8-12-7-9/h6-8,10H,3-5H2,1-2H3
InChIKeyODEDDJUPKKGBRJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.13
Rot. Bonds5

About N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine (PubChem CID 62763082) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
PubChem CID62763082
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1cncnc1
InChIInChI=1S/C9H16N4/c1-13(2)4-3-10-5-9-6-11-8-12-7-9/h6-8,10H,3-5H2,1-2H3
InChIKeyODEDDJUPKKGBRJ-UHFFFAOYSA-N
XLogP0.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-(pyrimidin-5-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 N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine (CID 62763082) is N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine is CN(C)CCNCc1cncnc1.
What is the InChIKey of N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is ODEDDJUPKKGBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13(2)4-3-10-5-9-6-11-8-12-7-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62763082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).