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

C14H24N6 — CID 122625412

IUPAC2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N)c(N2CCNCC2)c(N2CCCCC2)n1
InChIInChI=1S/C14H24N6/c1-11-17-13(15)12(19-9-5-16-6-10-19)14(18-11)20-7-3-2-4-8-20/h16H,2-10H2,1H3,(H2,15,17,18)
InChIKeyCZKXWJFZUVVDNI-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.77
Rot. Bonds2

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

2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 122625412) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID122625412
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N)c(N2CCNCC2)c(N2CCCCC2)n1
InChIInChI=1S/C14H24N6/c1-11-17-13(15)12(19-9-5-16-6-10-19)14(18-11)20-7-3-2-4-8-20/h16H,2-10H2,1H3,(H2,15,17,18)
InChIKeyCZKXWJFZUVVDNI-UHFFFAOYSA-N
XLogP0.77
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine (CID 122625412) is 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine is Cc1nc(N)c(N2CCNCC2)c(N2CCCCC2)n1.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is CZKXWJFZUVVDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-11-17-13(15)12(19-9-5-16-6-10-19)14(18-11)20-7-3-2-4-8-20/h16H,2-10H2,1H3,(H2,15,17,18).
What are the key properties of 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine?
2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 122625412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).