2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C13H14FN3O2 — CID 135612041

IUPAC2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccc(F)cc2)[nH]c(=O)c1CCO
InChIInChI=1S/C13H14FN3O2/c1-8-11(6-7-18)12(19)17-13(15-8)16-10-4-2-9(14)3-5-10/h2-5,18H,6-7H2,1H3,(H2,15,16,17,19)
InChIKeyDFVADMLYEGUJQS-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135612041) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135612041
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccc(F)cc2)[nH]c(=O)c1CCO
InChIInChI=1S/C13H14FN3O2/c1-8-11(6-7-18)12(19)17-13(15-8)16-10-4-2-9(14)3-5-10/h2-5,18H,6-7H2,1H3,(H2,15,16,17,19)
InChIKeyDFVADMLYEGUJQS-UHFFFAOYSA-N
XLogP1.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135612041) is 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(Nc2ccc(F)cc2)[nH]c(=O)c1CCO.
What is the InChIKey of 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DFVADMLYEGUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-11(6-7-18)12(19)17-13(15-8)16-10-4-2-9(14)3-5-10/h2-5,18H,6-7H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 263.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135612041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).