4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine

C12H18ClN3O2 — CID 103536691

IUPAC4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1N1CC(OC)C(OC)C1
InChIInChI=1S/C12H18ClN3O2/c1-4-8-11(13)14-7-15-12(8)16-5-9(17-2)10(6-16)18-3/h7,9-10H,4-6H2,1-3H3
InChIKeyUTCMNTKCPDOORT-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.54
Rot. Bonds4

About 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine

4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine (PubChem CID 103536691) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
PubChem CID103536691
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1N1CC(OC)C(OC)C1
InChIInChI=1S/C12H18ClN3O2/c1-4-8-11(13)14-7-15-12(8)16-5-9(17-2)10(6-16)18-3/h7,9-10H,4-6H2,1-3H3
InChIKeyUTCMNTKCPDOORT-UHFFFAOYSA-N
XLogP1.54
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902
(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959798
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
CID 103536649
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627020
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185
4-chloro-5-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidine
CID 55229676
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
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 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine (CID 103536691) is 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine is CCc1c(Cl)ncnc1N1CC(OC)C(OC)C1.
What is the InChIKey of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine?
The InChIKey is UTCMNTKCPDOORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-8-11(13)14-7-15-12(8)16-5-9(17-2)10(6-16)18-3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine?
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine has a molecular weight of 271.75 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine is sourced from PubChem (CID 103536691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).