2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride

C11H19Cl2N3 — CID 71298654

IUPAC2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride
SMILESCc1nccc(C2(C)CCCNC2)n1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-9-13-7-4-10(14-9)11(2)5-3-6-12-8-11;;/h4,7,12H,3,5-6,8H2,1-2H3;2*1H
InChIKeyITVYYNTVCJSLHW-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.27
Rot. Bonds1

About 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride

2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride (PubChem CID 71298654) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride
PubChem CID71298654
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride
SMILESCc1nccc(C2(C)CCCNC2)n1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-9-13-7-4-10(14-9)11(2)5-3-6-12-8-11;;/h4,7,12H,3,5-6,8H2,1-2H3;2*1H
InChIKeyITVYYNTVCJSLHW-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride?
The IUPAC name of 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride (CID 71298654) is 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride.
What is the SMILES notation for 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride?
The canonical SMILES for 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride is Cc1nccc(C2(C)CCCNC2)n1.Cl.Cl.
What is the InChIKey of 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride?
The InChIKey is ITVYYNTVCJSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c1-9-13-7-4-10(14-9)11(2)5-3-6-12-8-11;;/h4,7,12H,3,5-6,8H2,1-2H3;2*1H.
What are the key properties of 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride?
2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperidin-3-yl)pyrimidine;dihydrochloride is sourced from PubChem (CID 71298654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).