(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol

C13H14FN3O3 — CID 139791759

IUPAC(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol
SMILESCOc1cc(OC)nc(C(O)c2c(N)cccc2F)n1
InChIInChI=1S/C13H14FN3O3/c1-19-9-6-10(20-2)17-13(16-9)12(18)11-7(14)4-3-5-8(11)15/h3-6,12,18H,15H2,1-2H3
InChIKeyRUKGVJKONKNDBU-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.30
Rot. Bonds4

About (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol

(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol (PubChem CID 139791759) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol
PubChem CID139791759
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol
SMILESCOc1cc(OC)nc(C(O)c2c(N)cccc2F)n1
InChIInChI=1S/C13H14FN3O3/c1-19-9-6-10(20-2)17-13(16-9)12(18)11-7(14)4-3-5-8(11)15/h3-6,12,18H,15H2,1-2H3
InChIKeyRUKGVJKONKNDBU-UHFFFAOYSA-N
XLogP1.30
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline
CID 54248163
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
3-chloro-2-[chloro-(4,6-dimethoxypyrimidin-2-yl)methyl]-6-fluoroaniline
CID 67349968
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
6-[(4,6-dimethoxypyrimidin-2-yl)-fluoromethyl]-2,3-difluoroaniline
CID 67350155
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
1,1,1-trifluoro-N-[2-fluoro-6-[hydroxy-[4-(hydroxymethyl)-6-methoxypyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 71172469
2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoroaniline
CID 67350392
1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
CID 82666098
2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid
CID 90975702

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol?
The IUPAC name of (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol (CID 139791759) is (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol.
What is the SMILES notation for (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol?
The canonical SMILES for (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol is COc1cc(OC)nc(C(O)c2c(N)cccc2F)n1.
What is the InChIKey of (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol?
The InChIKey is RUKGVJKONKNDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-19-9-6-10(20-2)17-13(16-9)12(18)11-7(14)4-3-5-8(11)15/h3-6,12,18H,15H2,1-2H3.
What are the key properties of (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol?
(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol has a molecular weight of 279.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol is sourced from PubChem (CID 139791759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).