2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine

C13H21N3O — CID 83027015

IUPAC2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(NC2CCOC(C)(C)C2)c(N)c1
InChIInChI=1S/C13H21N3O/c1-9-6-11(14)12(15-8-9)16-10-4-5-17-13(2,3)7-10/h6,8,10H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyWAKMXEWAKUGRPE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds2

About 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine

2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine (PubChem CID 83027015) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
PubChem CID83027015
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(NC2CCOC(C)(C)C2)c(N)c1
InChIInChI=1S/C13H21N3O/c1-9-6-11(14)12(15-8-9)16-10-4-5-17-13(2,3)7-10/h6,8,10H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyWAKMXEWAKUGRPE-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-(2-(5-(3-Methoxypropylamino)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119081685
7-methyl-1H,2H,3H,4H-pyrido(2,3-b)pyrazine
CID 71755787
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 71914444
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 86770965
N-(oxan-4-ylmethyl)-6-pyridin-3-ylpyrazin-2-amine
CID 172433716
6-(3-aminophenyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 172436001
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(oxan-4-yl)pyrazin-2-amine
CID 172436086
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-(oxan-4-yl)pyrazine-2,3-diamine
CID 172437530
N-methyl-6-(morpholin-4-yl)pyridin-3-amine
CID 59619060
1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine
CID 118264055
5-Methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine
CID 62477024
5-Methyl-6-(piperidin-1-yl)pyridin-3-amine dihydrochloride
CID 71758110

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine (CID 83027015) is 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine is Cc1cnc(NC2CCOC(C)(C)C2)c(N)c1.
What is the InChIKey of 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine?
The InChIKey is WAKMXEWAKUGRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-11(14)12(15-8-9)16-10-4-5-17-13(2,3)7-10/h6,8,10H,4-5,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine?
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 83027015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).