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

C13H21N3O2 — CID 4610746

IUPAC4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCOc1cc(OC)nc(CN2CCC(C)CC2)n1
InChIInChI=1S/C13H21N3O2/c1-10-4-6-16(7-5-10)9-11-14-12(17-2)8-13(15-11)18-3/h8,10H,4-7,9H2,1-3H3
InChIKeyMMNBKAJJJPGQCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds4

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

4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 4610746) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine
PubChem CID4610746
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCOc1cc(OC)nc(CN2CCC(C)CC2)n1
InChIInChI=1S/C13H21N3O2/c1-10-4-6-16(7-5-10)9-11-14-12(17-2)8-13(15-11)18-3/h8,10H,4-7,9H2,1-3H3
InChIKeyMMNBKAJJJPGQCL-UHFFFAOYSA-N
XLogP1.73
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
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-[(4-methylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine (CID 4610746) is 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine is COc1cc(OC)nc(CN2CCC(C)CC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is MMNBKAJJJPGQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-4-6-16(7-5-10)9-11-14-12(17-2)8-13(15-11)18-3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine?
4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 4610746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).