5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

C12H19N3O — CID 83265643

IUPAC5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCOCC2)cc1N
InChIInChI=1S/C12H19N3O/c1-9-7-14-12(6-11(9)13)15-8-10-2-4-16-5-3-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15)
InChIKeyYOXIUVKOZVBSNS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds3

About 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (PubChem CID 83265643) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
PubChem CID83265643
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCOCC2)cc1N
InChIInChI=1S/C12H19N3O/c1-9-7-14-12(6-11(9)13)15-8-10-2-4-16-5-3-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15)
InChIKeyYOXIUVKOZVBSNS-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-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

Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
n-Isobutyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 44546966
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
4-(Oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164610686
4-(Oxan-4-ylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164615273
1H-Pyrrolo(3,2-c)pyridine, 2,3-dihydro-6-piperidino-
CID 3058312
2-(Morpholin-4-yl)pyridin-4-amine
CID 23818810
(2-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16790303
(Z)-5-[6-(methylamino)-3-pyridinyl]pent-4-en-1-ol
CID 49792505
4-[2-(Oxan-4-yl)ethylamino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164615570
N-(2-Methylpropyl)-4-piperazin-1-ylpyridin-2-amine dihydrochloride
CID 44546971
N,N-dimethyl-1,2,3,4-tetrahydro-1,6-naphthyridin-5-amine
CID 86262160

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (CID 83265643) is 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is Cc1cnc(NCC2CCOCC2)cc1N.
What is the InChIKey of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The InChIKey is YOXIUVKOZVBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-14-12(6-11(9)13)15-8-10-2-4-16-5-3-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15).
What are the key properties of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 83265643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).