1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol

C10H14ClN3O2 — CID 106670902

IUPAC1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESCCc1c(Cl)ncnc1N1CC(O)C(O)C1
InChIInChI=1S/C10H14ClN3O2/c1-2-6-9(11)12-5-13-10(6)14-3-7(15)8(16)4-14/h5,7-8,15-16H,2-4H2,1H3
InChIKeyNLPNDQWIURWCCQ-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.23
Rot. Bonds2

About 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol

1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106670902) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
PubChem CID106670902
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESCCc1c(Cl)ncnc1N1CC(O)C(O)C1
InChIInChI=1S/C10H14ClN3O2/c1-2-6-9(11)12-5-13-10(6)14-3-7(15)8(16)4-14/h5,7-8,15-16H,2-4H2,1H3
InChIKeyNLPNDQWIURWCCQ-UHFFFAOYSA-N
XLogP0.23
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
CID 103536691
(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959798
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627020
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
4-chloro-5-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidine
CID 55229676
4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185
ethyl 4-(6-chloro-5-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877549
4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 55230444

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol (CID 106670902) is 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol is CCc1c(Cl)ncnc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is NLPNDQWIURWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-6-9(11)12-5-13-10(6)14-3-7(15)8(16)4-14/h5,7-8,15-16H,2-4H2,1H3.
What are the key properties of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol?
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 243.69 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).