[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol

C12H12FN3O — CID 59278633

IUPAC[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c1-8-6-11(7-17)16-12(14-8)15-10-4-2-9(13)3-5-10/h2-6,17H,7H2,1H3,(H,14,15,16)
InChIKeyMBFVCXJIPMDZHL-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.16
Rot. Bonds3

About [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol

[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol (PubChem CID 59278633) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol
PubChem CID59278633
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c1-8-6-11(7-17)16-12(14-8)15-10-4-2-9(13)3-5-10/h2-6,17H,7H2,1H3,(H,14,15,16)
InChIKeyMBFVCXJIPMDZHL-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol (CID 59278633) is [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol is Cc1cc(CO)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is MBFVCXJIPMDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-6-11(7-17)16-12(14-8)15-10-4-2-9(13)3-5-10/h2-6,17H,7H2,1H3,(H,14,15,16).
What are the key properties of [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol?
[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 233.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 59278633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).