6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione

C13H23N3O3 — CID 67689745

IUPAC6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)N(CCO)CCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H23N3O3/c1-10(2)16(7-8-17)6-5-11-9-12(18)15(4)13(19)14(11)3/h9-10,17H,5-8H2,1-4H3
InChIKeyCDAPIIZVQZBTOI-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.67
Rot. Bonds6

About 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 67689745) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID67689745
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)N(CCO)CCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H23N3O3/c1-10(2)16(7-8-17)6-5-11-9-12(18)15(4)13(19)14(11)3/h9-10,17H,5-8H2,1-4H3
InChIKeyCDAPIIZVQZBTOI-UHFFFAOYSA-N
XLogP-0.67
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 67689745) is 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)N(CCO)CCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CDAPIIZVQZBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)16(7-8-17)6-5-11-9-12(18)15(4)13(19)14(11)3/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 269.34 g/mol, XLogP of -0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67689745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).