2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol

C14H23N3O2 — CID 106103458

IUPAC2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol
SMILESCCCNc1cc(NCC2(O)CCOC2C)ccn1
InChIInChI=1S/C14H23N3O2/c1-3-6-15-13-9-12(4-7-16-13)17-10-14(18)5-8-19-11(14)2/h4,7,9,11,18H,3,5-6,8,10H2,1-2H3,(H2,15,16,17)
InChIKeyFGJBAFXBOBMWIY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds6

About 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol

2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol (PubChem CID 106103458) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol
PubChem CID106103458
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol
SMILESCCCNc1cc(NCC2(O)CCOC2C)ccn1
InChIInChI=1S/C14H23N3O2/c1-3-6-15-13-9-12(4-7-16-13)17-10-14(18)5-8-19-11(14)2/h4,7,9,11,18H,3,5-6,8,10H2,1-2H3,(H2,15,16,17)
InChIKeyFGJBAFXBOBMWIY-UHFFFAOYSA-N
XLogP1.86
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol
CID 106103441
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114143620
3-[[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103575
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylbenzoic acid
CID 106101989
3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 113367923
4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine
CID 113367730
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103450
4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
CID 114541916
2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol (CID 106103458) is 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol is CCCNc1cc(NCC2(O)CCOC2C)ccn1.
What is the InChIKey of 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol?
The InChIKey is FGJBAFXBOBMWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-6-15-13-9-12(4-7-16-13)17-10-14(18)5-8-19-11(14)2/h4,7,9,11,18H,3,5-6,8,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol has a molecular weight of 265.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).