2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine

C14H19N5 — CID 80965628

IUPAC2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C14H19N5/c1-14(2,3)13-16-11(15)8-12(17-13)19-7-6-10(18-19)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyIQEZGWDSQMZVIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds2

About 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine

2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80965628) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80965628
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C14H19N5/c1-14(2,3)13-16-11(15)8-12(17-13)19-7-6-10(18-19)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyIQEZGWDSQMZVIH-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine (CID 80965628) is 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine is CC(C)(C)c1nc(N)cc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is IQEZGWDSQMZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2,3)13-16-11(15)8-12(17-13)19-7-6-10(18-19)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-cyclopropylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80965628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).