2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine

C14H24N6 — CID 122625377

IUPAC2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(N)c(C2CCNCC2)c(N2CCNCC2)n1
InChIInChI=1S/C14H24N6/c1-10-18-13(15)12(11-2-4-16-5-3-11)14(19-10)20-8-6-17-7-9-20/h11,16-17H,2-9H2,1H3,(H2,15,18,19)
InChIKeyUQOWAMMXLDGVPQ-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.24
Rot. Bonds2

About 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine

2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine (PubChem CID 122625377) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine
PubChem CID122625377
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(N)c(C2CCNCC2)c(N2CCNCC2)n1
InChIInChI=1S/C14H24N6/c1-10-18-13(15)12(11-2-4-16-5-3-11)14(19-10)20-8-6-17-7-9-20/h11,16-17H,2-9H2,1H3,(H2,15,18,19)
InChIKeyUQOWAMMXLDGVPQ-UHFFFAOYSA-N
XLogP0.24
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine (CID 122625377) is 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine is Cc1nc(N)c(C2CCNCC2)c(N2CCNCC2)n1.
What is the InChIKey of 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is UQOWAMMXLDGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-10-18-13(15)12(11-2-4-16-5-3-11)14(19-10)20-8-6-17-7-9-20/h11,16-17H,2-9H2,1H3,(H2,15,18,19).
What are the key properties of 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine?
2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122625377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).