4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine

C13H21N3O3 — CID 115355534

IUPAC4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
SMILESCOc1cc(OC)nc(OCCC2CCCCN2)n1
InChIInChI=1S/C13H21N3O3/c1-17-11-9-12(18-2)16-13(15-11)19-8-6-10-5-3-4-7-14-10/h9-10,14H,3-8H2,1-2H3
InChIKeyCQUOCMGWKPCAJJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.40
Rot. Bonds6

About 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine

4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine (PubChem CID 115355534) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
PubChem CID115355534
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
SMILESCOc1cc(OC)nc(OCCC2CCCCN2)n1
InChIInChI=1S/C13H21N3O3/c1-17-11-9-12(18-2)16-13(15-11)19-8-6-10-5-3-4-7-14-10/h9-10,14H,3-8H2,1-2H3
InChIKeyCQUOCMGWKPCAJJ-UHFFFAOYSA-N
XLogP1.40
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 64585870
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
[3-methoxy-4-(2-piperidin-2-ylethoxy)phenyl]methanol
CID 107743173
4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
CID 97163202
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
CID 79717731

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine (CID 115355534) is 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine is COc1cc(OC)nc(OCCC2CCCCN2)n1.
What is the InChIKey of 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine?
The InChIKey is CQUOCMGWKPCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-17-11-9-12(18-2)16-13(15-11)19-8-6-10-5-3-4-7-14-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine?
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine has a molecular weight of 267.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine is sourced from PubChem (CID 115355534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).