5-amino-1-(2-methoxyethyl)pyrimidin-4-one

C7H11N3O2 — CID 115114227

IUPAC5-amino-1-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(=O)c(N)c1
InChIInChI=1S/C7H11N3O2/c1-12-3-2-10-4-6(8)7(11)9-5-10/h4-5H,2-3,8H2,1H3
InChIKeyNNYRETUBCBJYRY-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.53
Rot. Bonds3

About 5-amino-1-(2-methoxyethyl)pyrimidin-4-one

5-amino-1-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 115114227) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(2-methoxyethyl)pyrimidin-4-one
PubChem CID115114227
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-1-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(=O)c(N)c1
InChIInChI=1S/C7H11N3O2/c1-12-3-2-10-4-6(8)7(11)9-5-10/h4-5H,2-3,8H2,1H3
InChIKeyNNYRETUBCBJYRY-UHFFFAOYSA-N
XLogP-0.53
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-methoxy-3-methylpyrimidin-4-one
CID 141540259
5-Amino-2-ethoxy-3-methylpyrimidin-4-one
CID 141540260
Methyl 2-(5-amino-6-oxopyrimidin-1-yl)acetate
CID 170789188
5-Amino-1-(3-methoxypropyl)pyrimidin-4-one
CID 115114221
5-Amino-1-(2-hydroxyethyl)pyrimidin-4-one
CID 115114226
5-Amino-1-(oxolan-3-yl)pyrimidin-4-one
CID 115114234
5-Amino-1-ethylpyrimidin-4-one
CID 115114450
5-Amino-1-propylpyrimidin-4-one
CID 115114451
5-Amino-1-propan-2-ylpyrimidin-4-one
CID 115114463

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(2-methoxyethyl)pyrimidin-4-one (CID 115114227) is 5-amino-1-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(2-methoxyethyl)pyrimidin-4-one is COCCn1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is NNYRETUBCBJYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-3-2-10-4-6(8)7(11)9-5-10/h4-5H,2-3,8H2,1H3.
What are the key properties of 5-amino-1-(2-methoxyethyl)pyrimidin-4-one?
5-amino-1-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 169.18 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 115114227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).