2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

C14H21N5 — CID 79822255

IUPAC2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCc1cc(-n2nc(C)c(C(C)CN)c2C)nc(C)n1
InChIInChI=1S/C14H21N5/c1-8(7-15)14-10(3)18-19(11(14)4)13-6-9(2)16-12(5)17-13/h6,8H,7,15H2,1-5H3
InChIKeyDTUOQGMFKYGHGN-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.96
Rot. Bonds3

About 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 79822255) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID79822255
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCc1cc(-n2nc(C)c(C(C)CN)c2C)nc(C)n1
InChIInChI=1S/C14H21N5/c1-8(7-15)14-10(3)18-19(11(14)4)13-6-9(2)16-12(5)17-13/h6,8H,7,15H2,1-5H3
InChIKeyDTUOQGMFKYGHGN-UHFFFAOYSA-N
XLogP1.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 79822255) is 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is Cc1cc(-n2nc(C)c(C(C)CN)c2C)nc(C)n1.
What is the InChIKey of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is DTUOQGMFKYGHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-8(7-15)14-10(3)18-19(11(14)4)13-6-9(2)16-12(5)17-13/h6,8H,7,15H2,1-5H3.
What are the key properties of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 79822255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).