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

C14H17N3O3 — CID 136974266

IUPAC5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCc1ccccc1CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H17N3O3/c1-19-8-11-6-4-3-5-10(11)7-15-13-12(20-2)14(18)17-9-16-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyVLYANESLMOJDET-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.54
Rot. Bonds6

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

5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136974266) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136974266
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCc1ccccc1CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H17N3O3/c1-19-8-11-6-4-3-5-10(11)7-15-13-12(20-2)14(18)17-9-16-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyVLYANESLMOJDET-UHFFFAOYSA-N
XLogP1.54
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978664
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136999745
5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 136959376
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one (CID 136974266) is 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one is COCc1ccccc1CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is VLYANESLMOJDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-8-11-6-4-3-5-10(11)7-15-13-12(20-2)14(18)17-9-16-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).