3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

C12H19N3O2 — CID 114143335

IUPAC3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCc1cnc(NCC2(O)CCOC2C)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-8-5-10(13)11(14-6-8)15-7-12(16)3-4-17-9(12)2/h5-6,9,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyLRYJCBSRDQZLBL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.92
Rot. Bonds3

About 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 114143335) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID114143335
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCc1cnc(NCC2(O)CCOC2C)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-8-5-10(13)11(14-6-8)15-7-12(16)3-4-17-9(12)2/h5-6,9,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyLRYJCBSRDQZLBL-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
3-[[(8-amino-3-methylisoquinolin-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099688
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
3-[(2-amino-4,5-difluoroanilino)methyl]-2-methyloxolan-3-ol
CID 112751875
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103692
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 106099685
3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099717
3-[(2-amino-4-iodoanilino)methyl]-2-methyloxolan-3-ol
CID 114143311
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (CID 114143335) is 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is Cc1cnc(NCC2(O)CCOC2C)c(N)c1.
What is the InChIKey of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is LRYJCBSRDQZLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-10(13)11(14-6-8)15-7-12(16)3-4-17-9(12)2/h5-6,9,16H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 237.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 114143335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).