4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one

C15H12FN3O — CID 136720496

IUPAC4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2ccc(F)c3ccccc23)[nH]c1=O
InChIInChI=1S/C15H12FN3O/c1-8-13(17)18-14(19-15(8)20)11-6-7-12(16)10-5-3-2-4-9(10)11/h2-7H,1H3,(H3,17,18,19,20)
InChIKeyQDTXBEPVCZJOEB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.62
Rot. Bonds1

About 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one

4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136720496) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136720496
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2ccc(F)c3ccccc23)[nH]c1=O
InChIInChI=1S/C15H12FN3O/c1-8-13(17)18-14(19-15(8)20)11-6-7-12(16)10-5-3-2-4-9(10)11/h2-7H,1H3,(H3,17,18,19,20)
InChIKeyQDTXBEPVCZJOEB-UHFFFAOYSA-N
XLogP2.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 137004922
2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
CID 168553310
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
CID 136741700
4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136715399
5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine
CID 83170406
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 63612440
5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114088248
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251
4-amino-3-(4-fluoronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 114088267

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one (CID 136720496) is 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one is Cc1c(N)nc(-c2ccc(F)c3ccccc23)[nH]c1=O.
What is the InChIKey of 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is QDTXBEPVCZJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-8-13(17)18-14(19-15(8)20)11-6-7-12(16)10-5-3-2-4-9(10)11/h2-7H,1H3,(H3,17,18,19,20).
What are the key properties of 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 269.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136720496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).