2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one

C9H15N3O3 — CID 153365654

IUPAC2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one
SMILESCOCC(Cn1ccc(=O)nc1N)OC
InChIInChI=1S/C9H15N3O3/c1-14-6-7(15-2)5-12-4-3-8(13)11-9(12)10/h3-4,7H,5-6H2,1-2H3,(H2,10,11,13)
InChIKeyGUGVFLDCCCDMGC-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one

2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one (PubChem CID 153365654) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one
PubChem CID153365654
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one
SMILESCOCC(Cn1ccc(=O)nc1N)OC
InChIInChI=1S/C9H15N3O3/c1-14-6-7(15-2)5-12-4-3-8(13)11-9(12)10/h3-4,7H,5-6H2,1-2H3,(H2,10,11,13)
InChIKeyGUGVFLDCCCDMGC-UHFFFAOYSA-N
XLogP-0.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one?
The IUPAC name of 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one (CID 153365654) is 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one is COCC(Cn1ccc(=O)nc1N)OC.
What is the InChIKey of 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one?
The InChIKey is GUGVFLDCCCDMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-6-7(15-2)5-12-4-3-8(13)11-9(12)10/h3-4,7H,5-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one?
2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one has a molecular weight of 213.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 153365654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).