6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one

C8H13N3O3 — CID 66677933

IUPAC6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one
SMILESCOC(C)COc1cnc(=O)[nH]c1N
InChIInChI=1S/C8H13N3O3/c1-5(13-2)4-14-6-3-10-8(12)11-7(6)9/h3,5H,4H2,1-2H3,(H3,9,10,11,12)
InChIKeyQVOQGXAVYIHXKA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.23
Rot. Bonds4

About 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one

6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one (PubChem CID 66677933) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one
PubChem CID66677933
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one
SMILESCOC(C)COc1cnc(=O)[nH]c1N
InChIInChI=1S/C8H13N3O3/c1-5(13-2)4-14-6-3-10-8(12)11-7(6)9/h3,5H,4H2,1-2H3,(H3,9,10,11,12)
InChIKeyQVOQGXAVYIHXKA-UHFFFAOYSA-N
XLogP-0.23
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-methoxy-1,2-dihydropyrimidin-2-one
CID 15422742
5,6-diethoxy-1H-pyrimidin-2-one
CID 69847402
5,6-di(propan-2-yloxy)-1H-pyrimidin-2-one
CID 69909314
6-amino-5-ethoxy-1H-pyrimidin-2-one
CID 100960514

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one (CID 66677933) is 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one is COC(C)COc1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one?
The InChIKey is QVOQGXAVYIHXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(13-2)4-14-6-3-10-8(12)11-7(6)9/h3,5H,4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one?
6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one has a molecular weight of 199.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxypropoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 66677933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).