4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine

C13H22N4 — CID 79478769

IUPAC4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCCC1CCN(c2cc(C)nc(N)n2)CC1
InChIInChI=1S/C13H22N4/c1-3-4-11-5-7-17(8-6-11)12-9-10(2)15-13(14)16-12/h9,11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyHKTMBONEQWUMEM-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.38
Rot. Bonds3

About 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine

4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 79478769) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID79478769
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCCC1CCN(c2cc(C)nc(N)n2)CC1
InChIInChI=1S/C13H22N4/c1-3-4-11-5-7-17(8-6-11)12-9-10(2)15-13(14)16-12/h9,11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyHKTMBONEQWUMEM-UHFFFAOYSA-N
XLogP2.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine (CID 79478769) is 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine is CCCC1CCN(c2cc(C)nc(N)n2)CC1.
What is the InChIKey of 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is HKTMBONEQWUMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-4-11-5-7-17(8-6-11)12-9-10(2)15-13(14)16-12/h9,11H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine?
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 79478769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).