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

C7H11N3O2 — CID 143106493

IUPAC4-amino-1-(2-methoxyethyl)pyrimidin-2-one
SMILESCOCCn1ccc(N)nc1=O
InChIInChI=1S/C7H11N3O2/c1-12-5-4-10-3-2-6(8)9-7(10)11/h2-3H,4-5H2,1H3,(H2,8,9,11)
InChIKeyPCLYYVLSFWGXRE-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.53
Rot. Bonds3

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

4-amino-1-(2-methoxyethyl)pyrimidin-2-one (PubChem CID 143106493) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)pyrimidin-2-one
PubChem CID143106493
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-1-(2-methoxyethyl)pyrimidin-2-one
SMILESCOCCn1ccc(N)nc1=O
InChIInChI=1S/C7H11N3O2/c1-12-5-4-10-3-2-6(8)9-7(10)11/h2-3H,4-5H2,1H3,(H2,8,9,11)
InChIKeyPCLYYVLSFWGXRE-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-methoxyethyl)pyrimidin-2-one (CID 143106493) is 4-amino-1-(2-methoxyethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)pyrimidin-2-one is COCCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)pyrimidin-2-one?
The InChIKey is PCLYYVLSFWGXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-5-4-10-3-2-6(8)9-7(10)11/h2-3H,4-5H2,1H3,(H2,8,9,11).
What are the key properties of 4-amino-1-(2-methoxyethyl)pyrimidin-2-one?
4-amino-1-(2-methoxyethyl)pyrimidin-2-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 4-amino-1-(2-methoxyethyl)pyrimidin-2-one is sourced from PubChem (CID 143106493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).