4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C16H21N5O3 — CID 163355020

IUPAC4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(N2CCCC(COc3cnccn3)C2)n1
InChIInChI=1S/C16H21N5O3/c1-22-13-8-14(23-2)20-16(19-13)21-7-3-4-12(10-21)11-24-15-9-17-5-6-18-15/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyGRKUPFJZZHLPNH-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.58
Rot. Bonds6

About 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 163355020) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID163355020
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(N2CCCC(COc3cnccn3)C2)n1
InChIInChI=1S/C16H21N5O3/c1-22-13-8-14(23-2)20-16(19-13)21-7-3-4-12(10-21)11-24-15-9-17-5-6-18-15/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyGRKUPFJZZHLPNH-UHFFFAOYSA-N
XLogP1.58
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 163355020) is 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is COc1cc(OC)nc(N2CCCC(COc3cnccn3)C2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is GRKUPFJZZHLPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-22-13-8-14(23-2)20-16(19-13)21-7-3-4-12(10-21)11-24-15-9-17-5-6-18-15/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 331.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 163355020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).