1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol

C13H22N4O2 — CID 106674486

IUPAC1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCc1nc(NCC)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C13H22N4O2/c1-3-5-11-15-12(14-4-2)6-13(16-11)17-7-9(18)10(19)8-17/h6,9-10,18-19H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyFCFBRDHOVCFXIQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.40
Rot. Bonds5

About 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol

1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674486) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674486
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCc1nc(NCC)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C13H22N4O2/c1-3-5-11-15-12(14-4-2)6-13(16-11)17-7-9(18)10(19)8-17/h6,9-10,18-19H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyFCFBRDHOVCFXIQ-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

1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674447
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943776
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971298
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propylpyrimidin-4-amine
CID 80954718
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683910
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674486) is 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol is CCCc1nc(NCC)cc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is FCFBRDHOVCFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-11-15-12(14-4-2)6-13(16-11)17-7-9(18)10(19)8-17/h6,9-10,18-19H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[6-(ethylamino)-2-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)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).