2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C13H14FN3O2 — CID 135612035

IUPAC2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2cccc(F)c2)[nH]c(=O)c1CCO
InChIInChI=1S/C13H14FN3O2/c1-8-11(5-6-18)12(19)17-13(15-8)16-10-4-2-3-9(14)7-10/h2-4,7,18H,5-6H2,1H3,(H2,15,16,17,19)
InChIKeyPUAMBKJDJZBBNY-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.50
Rot. Bonds4

About 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135612035) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135612035
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2cccc(F)c2)[nH]c(=O)c1CCO
InChIInChI=1S/C13H14FN3O2/c1-8-11(5-6-18)12(19)17-13(15-8)16-10-4-2-3-9(14)7-10/h2-4,7,18H,5-6H2,1H3,(H2,15,16,17,19)
InChIKeyPUAMBKJDJZBBNY-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

Analyze 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one
CID 135612070
2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612041
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
2-(4-ethylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612053
2-(4-butylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612055
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-fluorophenyl)propanamide
CID 135893498
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
5-benzyl-2-(4-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 135633224
2-(2-bromo-5-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136889822
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
2-(3-chloro-2-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136987469
2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788717

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135612035) is 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(Nc2cccc(F)c2)[nH]c(=O)c1CCO.
What is the InChIKey of 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PUAMBKJDJZBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-11(5-6-18)12(19)17-13(15-8)16-10-4-2-3-9(14)7-10/h2-4,7,18H,5-6H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(3-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-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135612035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).