6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine

C13H19N5 — CID 80858031

IUPAC6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nn(-c2nc(C)nc(N)c2C)c1C
InChIInChI=1S/C13H19N5/c1-6-11-8(3)17-18(9(11)4)13-7(2)12(14)15-10(5)16-13/h6H2,1-5H3,(H2,14,15,16)
InChIKeyKBOQBBCWBMNHPE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds2

About 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine

6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80858031) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID80858031
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nn(-c2nc(C)nc(N)c2C)c1C
InChIInChI=1S/C13H19N5/c1-6-11-8(3)17-18(9(11)4)13-7(2)12(14)15-10(5)16-13/h6H2,1-5H3,(H2,14,15,16)
InChIKeyKBOQBBCWBMNHPE-UHFFFAOYSA-N
XLogP2.04
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine (CID 80858031) is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine is CCc1c(C)nn(-c2nc(C)nc(N)c2C)c1C.
What is the InChIKey of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is KBOQBBCWBMNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-6-11-8(3)17-18(9(11)4)13-7(2)12(14)15-10(5)16-13/h6H2,1-5H3,(H2,14,15,16).
What are the key properties of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80858031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).