4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine

C12H19N3O2 — CID 70845922

IUPAC4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine
SMILESCOc1cc(OC)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C12H19N3O2/c1-15-6-4-9(5-7-15)12-13-10(16-2)8-11(14-12)17-3/h8-9H,4-7H2,1-3H3
InChIKeyXNXIQSHSDIAONQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds3

About 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine

4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine (PubChem CID 70845922) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine
PubChem CID70845922
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine
SMILESCOc1cc(OC)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C12H19N3O2/c1-15-6-4-9(5-7-15)12-13-10(16-2)8-11(14-12)17-3/h8-9H,4-7H2,1-3H3
InChIKeyXNXIQSHSDIAONQ-UHFFFAOYSA-N
XLogP1.30
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine (CID 70845922) is 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine is COc1cc(OC)nc(C2CCN(C)CC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine?
The InChIKey is XNXIQSHSDIAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-6-4-9(5-7-15)12-13-10(16-2)8-11(14-12)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine?
4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine has a molecular weight of 237.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(1-methylpiperidin-4-yl)pyrimidine is sourced from PubChem (CID 70845922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).