4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol

C12H17Cl2N3O2 — CID 102760185

IUPAC4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3O2/c1-17(7-12(18)2-4-19-5-3-12)11-9(14)6-8(13)10(15)16-11/h6,18H,2-5,7H2,1H3,(H2,15,16)
InChIKeyCHLVFIKCZFZAPK-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.95
Rot. Bonds3

About 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol

4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol (PubChem CID 102760185) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
PubChem CID102760185
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3O2/c1-17(7-12(18)2-4-19-5-3-12)11-9(14)6-8(13)10(15)16-11/h6,18H,2-5,7H2,1H3,(H2,15,16)
InChIKeyCHLVFIKCZFZAPK-UHFFFAOYSA-N
XLogP1.95
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114954159
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114952384
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-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol (CID 102760185) is 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
The InChIKey is CHLVFIKCZFZAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2/c1-17(7-12(18)2-4-19-5-3-12)11-9(14)6-8(13)10(15)16-11/h6,18H,2-5,7H2,1H3,(H2,15,16).
What are the key properties of 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol?
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol has a molecular weight of 306.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 102760185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).