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

C7H12N4 — CID 62785489

IUPACN'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nccc(NCCN)n1
InChIInChI=1S/C7H12N4/c1-6-9-4-2-7(11-6)10-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,10,11)
InChIKeyKPRSLNITKNTBMZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.16
Rot. Bonds3

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

N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 62785489) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID62785489
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nccc(NCCN)n1
InChIInChI=1S/C7H12N4/c1-6-9-4-2-7(11-6)10-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,10,11)
InChIKeyKPRSLNITKNTBMZ-UHFFFAOYSA-N
XLogP0.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(2-methylpyrimidin-4-yl)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'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 62785489) is N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine is Cc1nccc(NCCN)n1.
What is the InChIKey of N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is KPRSLNITKNTBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-6-9-4-2-7(11-6)10-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,10,11).
What are the key properties of N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62785489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).