5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol

C13H18N4O2 — CID 116686398

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNCc2nccn2C)c1O
InChIInChI=1S/C13H18N4O2/c1-9-13(19)11(10(8-18)5-16-9)6-14-7-12-15-3-4-17(12)2/h3-5,14,18-19H,6-8H2,1-2H3
InChIKeyKPEVIUWGLKTLQF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.61
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 116686398) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol
PubChem CID116686398
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNCc2nccn2C)c1O
InChIInChI=1S/C13H18N4O2/c1-9-13(19)11(10(8-18)5-16-9)6-14-7-12-15-3-4-17(12)2/h3-5,14,18-19H,6-8H2,1-2H3
InChIKeyKPEVIUWGLKTLQF-UHFFFAOYSA-N
XLogP0.61
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
5-(hydroxymethyl)-2-methyl-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 116686364
1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738791
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
4-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380142
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 107740789
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
CID 113263576
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
5-(hydroxymethyl)-2-methyl-4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyridin-3-ol
CID 131891693

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol (CID 116686398) is 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol is Cc1ncc(CO)c(CNCc2nccn2C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is KPEVIUWGLKTLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-13(19)11(10(8-18)5-16-9)6-14-7-12-15-3-4-17(12)2/h3-5,14,18-19H,6-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 262.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 116686398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).