1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol

C13H22N4O2 — CID 106674538

IUPAC1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCc1c(NCC)ncnc1N1CC(O)C(O)C1
InChIInChI=1S/C13H22N4O2/c1-3-5-9-12(14-4-2)15-8-16-13(9)17-6-10(18)11(19)7-17/h8,10-11,18-19H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOCAHYXBYLAPYMQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.40
Rot. Bonds5

About 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol

1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674538) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674538
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCc1c(NCC)ncnc1N1CC(O)C(O)C1
InChIInChI=1S/C13H22N4O2/c1-3-5-9-12(14-4-2)15-8-16-13(9)17-6-10(18)11(19)7-17/h8,10-11,18-19H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOCAHYXBYLAPYMQ-UHFFFAOYSA-N
XLogP0.40
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674538) is 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol is CCCc1c(NCC)ncnc1N1CC(O)C(O)C1.
What is the InChIKey of 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is OCAHYXBYLAPYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-9-12(14-4-2)15-8-16-13(9)17-6-10(18)11(19)7-17/h8,10-11,18-19H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 266.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).