4-amino-1-(ethoxymethyl)pyrimidin-2-one

C7H11N3O2 — CID 15954377

IUPAC4-amino-1-(ethoxymethyl)pyrimidin-2-one
SMILESCCOCn1ccc(N)nc1=O
InChIInChI=1S/C7H11N3O2/c1-2-12-5-10-4-3-6(8)9-7(10)11/h3-4H,2,5H2,1H3,(H2,8,9,11)
InChIKeySYNCRZYDIVNFIF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.18
Rot. Bonds3

About 4-amino-1-(ethoxymethyl)pyrimidin-2-one

4-amino-1-(ethoxymethyl)pyrimidin-2-one (PubChem CID 15954377) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-1-(ethoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(ethoxymethyl)pyrimidin-2-one
PubChem CID15954377
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-1-(ethoxymethyl)pyrimidin-2-one
SMILESCCOCn1ccc(N)nc1=O
InChIInChI=1S/C7H11N3O2/c1-2-12-5-10-4-3-6(8)9-7(10)11/h3-4H,2,5H2,1H3,(H2,8,9,11)
InChIKeySYNCRZYDIVNFIF-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(ethoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(ethoxymethyl)pyrimidin-2-one (CID 15954377) is 4-amino-1-(ethoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(ethoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(ethoxymethyl)pyrimidin-2-one is CCOCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(ethoxymethyl)pyrimidin-2-one?
The InChIKey is SYNCRZYDIVNFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-12-5-10-4-3-6(8)9-7(10)11/h3-4H,2,5H2,1H3,(H2,8,9,11).
What are the key properties of 4-amino-1-(ethoxymethyl)pyrimidin-2-one?
4-amino-1-(ethoxymethyl)pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(ethoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 15954377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).