2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine

C12H19N3O — CID 116896890

IUPAC2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
SMILESCOc1nc(C)cc(C2CCN(C)CC2)n1
InChIInChI=1S/C12H19N3O/c1-9-8-11(14-12(13-9)16-3)10-4-6-15(2)7-5-10/h8,10H,4-7H2,1-3H3
InChIKeyGCDCUUKPFZWBQB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds2

About 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine

2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine (PubChem CID 116896890) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
PubChem CID116896890
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
SMILESCOc1nc(C)cc(C2CCN(C)CC2)n1
InChIInChI=1S/C12H19N3O/c1-9-8-11(14-12(13-9)16-3)10-4-6-15(2)7-5-10/h8,10H,4-7H2,1-3H3
InChIKeyGCDCUUKPFZWBQB-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine?
The IUPAC name of 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine (CID 116896890) is 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine.
What is the SMILES notation for 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine?
The canonical SMILES for 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine is COc1nc(C)cc(C2CCN(C)CC2)n1.
What is the InChIKey of 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine?
The InChIKey is GCDCUUKPFZWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-11(14-12(13-9)16-3)10-4-6-15(2)7-5-10/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine?
2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine is sourced from PubChem (CID 116896890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).