6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine

C13H19N5 — CID 114557312

IUPAC6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCn1nccc1-c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C13H19N5/c1-5-18-9(6-7-15-18)12-16-10(13(2,3)4)8-11(14)17-12/h6-8H,5H2,1-4H3,(H2,14,16,17)
InChIKeyFMQPMLQMQLENJZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds2

About 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine

6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114557312) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114557312
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCn1nccc1-c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C13H19N5/c1-5-18-9(6-7-15-18)12-16-10(13(2,3)4)8-11(14)17-12/h6-8H,5H2,1-4H3,(H2,14,16,17)
InChIKeyFMQPMLQMQLENJZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine (CID 114557312) is 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine is CCn1nccc1-c1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is FMQPMLQMQLENJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-18-9(6-7-15-18)12-16-10(13(2,3)4)8-11(14)17-12/h6-8H,5H2,1-4H3,(H2,14,16,17).
What are the key properties of 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114557312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).