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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Related Compounds

4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
[6-(2,6-dimethylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928395
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887860
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
1-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629646
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835

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).