4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine

C12H19N3 — CID 3129700

IUPAC4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCc1cc(C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C12H19N3/c1-9-5-4-6-15(8-9)12-13-10(2)7-11(3)14-12/h7,9H,4-6,8H2,1-3H3
InChIKeyFSURPMUKVDFEME-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.33
Rot. Bonds1

About 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine

4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 3129700) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID3129700
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCc1cc(C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C12H19N3/c1-9-5-4-6-15(8-9)12-13-10(2)7-11(3)14-12/h7,9H,4-6,8H2,1-3H3
InChIKeyFSURPMUKVDFEME-UHFFFAOYSA-N
XLogP2.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine (CID 3129700) is 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine is Cc1cc(C)nc(N2CCCC(C)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is FSURPMUKVDFEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-5-4-6-15(8-9)12-13-10(2)7-11(3)14-12/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine?
4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 205.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 3129700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).