5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine

C13H22N4 — CID 80764571

IUPAC5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-3-7-14-13-15-10-11(2)12(16-13)17-8-5-4-6-9-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyBAYYXVSLAISSEV-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds4

About 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine

5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine (PubChem CID 80764571) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
PubChem CID80764571
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-3-7-14-13-15-10-11(2)12(16-13)17-8-5-4-6-9-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyBAYYXVSLAISSEV-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine (CID 80764571) is 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(N2CCCCC2)n1.
What is the InChIKey of 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
The InChIKey is BAYYXVSLAISSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-7-14-13-15-10-11(2)12(16-13)17-8-5-4-6-9-17/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80764571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).