6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione

C13H15N3O3 — CID 4909850

IUPAC6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
SMILESCOc1ccccc1CCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C13H15N3O3/c1-19-10-5-3-2-4-9(10)6-7-16-11(14)8-12(17)15-13(16)18/h2-5,8H,6-7,14H2,1H3,(H,15,17,18)
InChIKeyXATMPSYLRQZLES-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.37
Rot. Bonds4

About 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione

6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 4909850) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
PubChem CID4909850
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
SMILESCOc1ccccc1CCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C13H15N3O3/c1-19-10-5-3-2-4-9(10)6-7-16-11(14)8-12(17)15-13(16)18/h2-5,8H,6-7,14H2,1H3,(H,15,17,18)
InChIKeyXATMPSYLRQZLES-UHFFFAOYSA-N
XLogP0.37
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione (CID 4909850) is 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione is COc1ccccc1CCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is XATMPSYLRQZLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-10-5-3-2-4-9(10)6-7-16-11(14)8-12(17)15-13(16)18/h2-5,8H,6-7,14H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione?
6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4909850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).