4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol

C13H21N3O2 — CID 114947689

IUPAC4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
SMILESCc1cc(N(C)CC2(O)CCOCC2)ncc1N
InChIInChI=1S/C13H21N3O2/c1-10-7-12(15-8-11(10)14)16(2)9-13(17)3-5-18-6-4-13/h7-8,17H,3-6,9,14H2,1-2H3
InChIKeyRXDGFSMOODLTDH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds3

About 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol

4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol (PubChem CID 114947689) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
PubChem CID114947689
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
SMILESCc1cc(N(C)CC2(O)CCOCC2)ncc1N
InChIInChI=1S/C13H21N3O2/c1-10-7-12(15-8-11(10)14)16(2)9-13(17)3-5-18-6-4-13/h7-8,17H,3-6,9,14H2,1-2H3
InChIKeyRXDGFSMOODLTDH-UHFFFAOYSA-N
XLogP0.95
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 103553535
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
CID 114947947
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 114950653
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol (CID 114947689) is 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol is Cc1cc(N(C)CC2(O)CCOCC2)ncc1N.
What is the InChIKey of 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
The InChIKey is RXDGFSMOODLTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-12(15-8-11(10)14)16(2)9-13(17)3-5-18-6-4-13/h7-8,17H,3-6,9,14H2,1-2H3.
What are the key properties of 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol has a molecular weight of 251.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114947689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).