4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one

C12H12FN3O3 — CID 107667208

IUPAC4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccc(CN)cc2F)nc[nH]c1=O
InChIInChI=1S/C12H12FN3O3/c1-18-10-11(17)15-6-16-12(10)19-9-3-2-7(5-14)4-8(9)13/h2-4,6H,5,14H2,1H3,(H,15,16,17)
InChIKeyRIUBROBBNFPPKH-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.17
Rot. Bonds4

About 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one

4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 107667208) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID107667208
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccc(CN)cc2F)nc[nH]c1=O
InChIInChI=1S/C12H12FN3O3/c1-18-10-11(17)15-6-16-12(10)19-9-3-2-7(5-14)4-8(9)13/h2-4,6H,5,14H2,1H3,(H,15,16,17)
InChIKeyRIUBROBBNFPPKH-UHFFFAOYSA-N
XLogP1.17
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585927
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-bromo-1H-pyrimidin-6-one
CID 114585934
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]benzamide;dihydrochloride
CID 154920996
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
4-[5-(aminomethyl)-2-methylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 107657400
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
CID 107667286
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one (CID 107667208) is 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(Oc2ccc(CN)cc2F)nc[nH]c1=O.
What is the InChIKey of 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is RIUBROBBNFPPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-18-10-11(17)15-6-16-12(10)19-9-3-2-7(5-14)4-8(9)13/h2-4,6H,5,14H2,1H3,(H,15,16,17).
What are the key properties of 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 265.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 107667208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).