3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

C11H19N3O4 — CID 91843261

IUPAC3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN(C)CC(O)CO)c(=O)[nH]1
InChIInChI=1S/C11H19N3O4/c1-8-5-10(17)14(11(18)12-8)4-3-13(2)6-9(16)7-15/h5,9,15-16H,3-4,6-7H2,1-2H3,(H,12,18)
InChIKeyAOZHSBUYKXQZEX-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.87
Rot. Bonds6

About 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 91843261) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID91843261
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN(C)CC(O)CO)c(=O)[nH]1
InChIInChI=1S/C11H19N3O4/c1-8-5-10(17)14(11(18)12-8)4-3-13(2)6-9(16)7-15/h5,9,15-16H,3-4,6-7H2,1-2H3,(H,12,18)
InChIKeyAOZHSBUYKXQZEX-UHFFFAOYSA-N
XLogP-1.87
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 91843261) is 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN(C)CC(O)CO)c(=O)[nH]1.
What is the InChIKey of 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is AOZHSBUYKXQZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-8-5-10(17)14(11(18)12-8)4-3-13(2)6-9(16)7-15/h5,9,15-16H,3-4,6-7H2,1-2H3,(H,12,18).
What are the key properties of 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of -1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,3-dihydroxypropyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91843261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).