4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine

C11H18N4O2 — CID 2736218

IUPAC4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
SMILESCOc1cc(OC)nc(CN2CCNCC2)n1
InChIInChI=1S/C11H18N4O2/c1-16-10-7-11(17-2)14-9(13-10)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3
InChIKeyRZNQZUBONDNTBD-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds4

About 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine

4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine (PubChem CID 2736218) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
PubChem CID2736218
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
SMILESCOc1cc(OC)nc(CN2CCNCC2)n1
InChIInChI=1S/C11H18N4O2/c1-16-10-7-11(17-2)14-9(13-10)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3
InChIKeyRZNQZUBONDNTBD-UHFFFAOYSA-N
XLogP-0.10
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine (CID 2736218) is 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine is COc1cc(OC)nc(CN2CCNCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine?
The InChIKey is RZNQZUBONDNTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-16-10-7-11(17-2)14-9(13-10)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine?
4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine has a molecular weight of 238.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 2736218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).