4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one

C14H18N4O2 — CID 136972734

IUPAC4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)Cc2ccccc2CN)nc[nH]c1=O
InChIInChI=1S/C14H18N4O2/c1-18(8-11-6-4-3-5-10(11)7-15)13-12(20-2)14(19)17-9-16-13/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,19)
InChIKeyJSYFOPQEPRZHLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.87
Rot. Bonds5

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

4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136972734) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136972734
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)Cc2ccccc2CN)nc[nH]c1=O
InChIInChI=1S/C14H18N4O2/c1-18(8-11-6-4-3-5-10(11)7-15)13-12(20-2)14(19)17-9-16-13/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,19)
InChIKeyJSYFOPQEPRZHLW-UHFFFAOYSA-N
XLogP0.87
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-Difluorophenyl)methyl]-2-[(2-ethylphenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134290386
1-Benzyl-5-methoxy-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-one
CID 155110230
1-Benzyl-2-[(2,6-dimethylphenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134290202
1-Benzyl-5-methoxy-2-[(2-methylphenyl)methylamino]pyrimidin-4-one
CID 134290418
1-Benzyl-2-[(2-ethylphenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134291058
1-Benzyl-2-[(2-fluorophenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134290278
2-Amino-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 145174046
2-[(2-Ethylphenyl)methylamino]-1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypyrimidin-4-one
CID 145174272
6-Chloro-3-[(5-fluoro-2-methylphenyl)methyl]-5-methoxypyrimidin-4-one
CID 105374598
6-Chloro-3-[(4-fluoro-2-methylphenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585309
4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691938
5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692528

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136972734) is 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(C)Cc2ccccc2CN)nc[nH]c1=O.
What is the InChIKey of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JSYFOPQEPRZHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(8-11-6-4-3-5-10(11)7-15)13-12(20-2)14(19)17-9-16-13/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136972734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).