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

C12H15N5 — CID 116974213

IUPACN-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCNCCNc1ncc(-c2ccccn2)cn1
InChIInChI=1S/C12H15N5/c1-13-6-7-15-12-16-8-10(9-17-12)11-4-2-3-5-14-11/h2-5,8-9,13H,6-7H2,1H3,(H,15,16,17)
InChIKeyMZMNZMACIXWXJO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.17
Rot. Bonds5

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 116974213) 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 CID116974213
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCNCCNc1ncc(-c2ccccn2)cn1
InChIInChI=1S/C12H15N5/c1-13-6-7-15-12-16-8-10(9-17-12)11-4-2-3-5-14-11/h2-5,8-9,13H,6-7H2,1H3,(H,15,16,17)
InChIKeyMZMNZMACIXWXJO-UHFFFAOYSA-N
XLogP1.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975157
N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974208
2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine
CID 116974358
N-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)ethanamine
CID 121213927
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
N-methyl-N'-(5-pyridin-3-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974460
2-(methylamino)-1-(4-pyridin-2-ylphenyl)ethanol
CID 70986853
N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974445
2-(4-methylphenyl)pyridine;silver
CID 121395993
N'-[5-(4-bromothiophen-2-yl)pyrimidin-2-yl]-N-methylethane-1,2-diamine
CID 116974203
hydrazine;2-phenylpyridine
CID 158673997
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530

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 116974213) 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 CNCCNc1ncc(-c2ccccn2)cn1.
What is the InChIKey of N-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is MZMNZMACIXWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-13-6-7-15-12-16-8-10(9-17-12)11-4-2-3-5-14-11/h2-5,8-9,13H,6-7H2,1H3,(H,15,16,17).
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 1.17, 5 rotatable bonds, 2 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 116974213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).