4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

C15H24N4 — CID 112909491

IUPAC4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4/c1-12-6-5-9-19(11-12)14-10-13(2)16-15(17-14)18-7-3-4-8-18/h10,12H,3-9,11H2,1-2H3
InChIKeyXMBLVULOCXAODR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.62
Rot. Bonds2

About 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 112909491) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID112909491
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4/c1-12-6-5-9-19(11-12)14-10-13(2)16-15(17-14)18-7-3-4-8-18/h10,12H,3-9,11H2,1-2H3
InChIKeyXMBLVULOCXAODR-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 112909491) is 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCCC(C)C2)nc(N2CCCC2)n1.
What is the InChIKey of 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is XMBLVULOCXAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-6-5-9-19(11-12)14-10-13(2)16-15(17-14)18-7-3-4-8-18/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 260.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112909491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).