5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one

C13H14FN3O — CID 59160616

IUPAC5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one
SMILESCc1ccc(CN(C)c2[nH]c(=O)ncc2F)cc1
InChIInChI=1S/C13H14FN3O/c1-9-3-5-10(6-4-9)8-17(2)12-11(14)7-15-13(18)16-12/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyAHKQUHXBADZVQS-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.85
Rot. Bonds3

About 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one

5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one (PubChem CID 59160616) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one
PubChem CID59160616
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one
SMILESCc1ccc(CN(C)c2[nH]c(=O)ncc2F)cc1
InChIInChI=1S/C13H14FN3O/c1-9-3-5-10(6-4-9)8-17(2)12-11(14)7-15-13(18)16-12/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyAHKQUHXBADZVQS-UHFFFAOYSA-N
XLogP1.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one (CID 59160616) is 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one is Cc1ccc(CN(C)c2[nH]c(=O)ncc2F)cc1.
What is the InChIKey of 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one?
The InChIKey is AHKQUHXBADZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-3-5-10(6-4-9)8-17(2)12-11(14)7-15-13(18)16-12/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one?
5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one has a molecular weight of 247.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[methyl-[(4-methylphenyl)methyl]amino]-1H-pyrimidin-2-one is sourced from PubChem (CID 59160616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).