(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol

C13H15FN4O3 — CID 172539011

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol
SMILESCNc1c(F)cccc1C(O)c1nc(OC)nc(OC)n1
InChIInChI=1S/C13H15FN4O3/c1-15-9-7(5-4-6-8(9)14)10(19)11-16-12(20-2)18-13(17-11)21-3/h4-6,10,15,19H,1-3H3
InChIKeyKPEJXEFUYLKKRO-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.15
Rot. Bonds5

About (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol

(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol (PubChem CID 172539011) has the molecular formula C13H15FN4O3 and a molecular weight of 294.29 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol
PubChem CID172539011
Molecular FormulaC13H15FN4O3
Molecular Weight294.29 g/mol
Exact Mass294.11
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol
SMILESCNc1c(F)cccc1C(O)c1nc(OC)nc(OC)n1
InChIInChI=1S/C13H15FN4O3/c1-15-9-7(5-4-6-8(9)14)10(19)11-16-12(20-2)18-13(17-11)21-3/h4-6,10,15,19H,1-3H3
InChIKeyKPEJXEFUYLKKRO-UHFFFAOYSA-N
XLogP1.15
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-hydroxymethyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 24884541
1,1,1-trifluoro-N-[2-fluoro-6-[hydroxy-[4-(hydroxymethyl)-6-methoxypyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 71172469
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
N-ethyl-1,1-difluoro-N-[2-fluoro-6-[(4-formyl-6-methoxy-1,3,5-triazin-2-yl)-hydroxymethyl]phenyl]methanesulfonamide
CID 163988366
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoromethanesulfinamide
CID 131970267
N'-ethyl-1-[3-fluoro-2-(methylamino)phenyl]methanediamine
CID 123414200
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline
CID 175233050
N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide
CID 67133435
(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol
CID 139791759
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol (CID 172539011) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol is CNc1c(F)cccc1C(O)c1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol?
The InChIKey is KPEJXEFUYLKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3/c1-15-9-7(5-4-6-8(9)14)10(19)11-16-12(20-2)18-13(17-11)21-3/h4-6,10,15,19H,1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol has a molecular weight of 294.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)-[3-fluoro-2-(methylamino)phenyl]methanol is sourced from PubChem (CID 172539011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).