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

C11H17N3O3 — CID 136983349

IUPAC4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)c(C)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3/c1-7-8(12)13-10(14-9(7)15)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyKHUBTKXGWGKZRI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.31
Rot. Bonds2

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

4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136983349) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136983349
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)c(C)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3/c1-7-8(12)13-10(14-9(7)15)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyKHUBTKXGWGKZRI-UHFFFAOYSA-N
XLogP0.31
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyoxan-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963833
5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136983391
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
4-hydroxy-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one
CID 113559536
2-(4-ethoxyoxan-4-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 113559553
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563471
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
5-(chloromethyl)-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 114205214
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206190
2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744926
4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116745101
2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745105

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one (CID 136983349) is 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(N)c(C)c(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KHUBTKXGWGKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8(12)13-10(14-9(7)15)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).