1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine

C14H20N6 — CID 107110293

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine
SMILESCc1cc(N2CCC(n3ccc(N)n3)CC2)nc(C)n1
InChIInChI=1S/C14H20N6/c1-10-9-14(17-11(2)16-10)19-6-3-12(4-7-19)20-8-5-13(15)18-20/h5,8-9,12H,3-4,6-7H2,1-2H3,(H2,15,18)
InChIKeyXHHPYICMRAKMRH-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.71
Rot. Bonds2

About 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110293) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107110293
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine
SMILESCc1cc(N2CCC(n3ccc(N)n3)CC2)nc(C)n1
InChIInChI=1S/C14H20N6/c1-10-9-14(17-11(2)16-10)19-6-3-12(4-7-19)20-8-5-13(15)18-20/h5,8-9,12H,3-4,6-7H2,1-2H3,(H2,15,18)
InChIKeyXHHPYICMRAKMRH-UHFFFAOYSA-N
XLogP1.71
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine (CID 107110293) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine is Cc1cc(N2CCC(n3ccc(N)n3)CC2)nc(C)n1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is XHHPYICMRAKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-9-14(17-11(2)16-10)19-6-3-12(4-7-19)20-8-5-13(15)18-20/h5,8-9,12H,3-4,6-7H2,1-2H3,(H2,15,18).
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 272.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).