N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine

C12H15N5 — CID 116977295

IUPACN'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncc(-c2ccccn2)cn1
InChIInChI=1S/C12H15N5/c1-17(7-5-13)12-15-8-10(9-16-12)11-4-2-3-6-14-11/h2-4,6,8-9H,5,7,13H2,1H3
InChIKeyOSJKWHAFURNLBU-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.93
Rot. Bonds4

About N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine

N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 116977295) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID116977295
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncc(-c2ccccn2)cn1
InChIInChI=1S/C12H15N5/c1-17(7-5-13)12-15-8-10(9-16-12)11-4-2-3-6-14-11/h2-4,6,8-9H,5,7,13H2,1H3
InChIKeyOSJKWHAFURNLBU-UHFFFAOYSA-N
XLogP0.93
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine (CID 116977295) is N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine is CN(CCN)c1ncc(-c2ccccn2)cn1.
What is the InChIKey of N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is OSJKWHAFURNLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(7-5-13)12-15-8-10(9-16-12)11-4-2-3-6-14-11/h2-4,6,8-9H,5,7,13H2,1H3.
What are the key properties of N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 229.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116977295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).