1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione

C8H13N3O3 — CID 123894892

IUPAC1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCNCC(O)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O3/c1-5-4-11(6(12)3-9-2)8(14)10-7(5)13/h4,6,9,12H,3H2,1-2H3,(H,10,13,14)
InChIKeyKPSGYRYTUDKNQM-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.44
Rot. Bonds3

About 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione

1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 123894892) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID123894892
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCNCC(O)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O3/c1-5-4-11(6(12)3-9-2)8(14)10-7(5)13/h4,6,9,12H,3H2,1-2H3,(H,10,13,14)
InChIKeyKPSGYRYTUDKNQM-UHFFFAOYSA-N
XLogP-1.44
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione (CID 123894892) is 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione is CNCC(O)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KPSGYRYTUDKNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5-4-11(6(12)3-9-2)8(14)10-7(5)13/h4,6,9,12H,3H2,1-2H3,(H,10,13,14).
What are the key properties of 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione?
1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 199.21 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 123894892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).