[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol

C13H14FN3O — CID 83184712

IUPAC[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)c2ccccc2F)ncc1CO
InChIInChI=1S/C13H14FN3O/c1-9-10(8-18)7-15-13(16-9)17(2)12-6-4-3-5-11(12)14/h3-7,18H,8H2,1-2H3
InChIKeyJBVMONKMHVDJDT-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.18
Rot. Bonds3

About [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol

[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184712) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184712
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)c2ccccc2F)ncc1CO
InChIInChI=1S/C13H14FN3O/c1-9-10(8-18)7-15-13(16-9)17(2)12-6-4-3-5-11(12)14/h3-7,18H,8H2,1-2H3
InChIKeyJBVMONKMHVDJDT-UHFFFAOYSA-N
XLogP2.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83184020
[4-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]pyrimidin-5-yl]methanol
CID 83184450
N-(2-fluorophenyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648957
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184048
2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83183770
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
[2-[furan-3-ylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184280
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
CID 83184457
5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
CID 83186234
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183846
[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
CID 83184886

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol (CID 83184712) is [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol is Cc1nc(N(C)c2ccccc2F)ncc1CO.
What is the InChIKey of [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is JBVMONKMHVDJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-10(8-18)7-15-13(16-9)17(2)12-6-4-3-5-11(12)14/h3-7,18H,8H2,1-2H3.
What are the key properties of [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol?
[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 247.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).