2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C16H25N5 — CID 80977826

IUPAC2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(C(C)(C)C)nc(NC)c2C)cn1
InChIInChI=1S/C16H25N5/c1-7-8-21-10-12(9-18-21)13-11(2)14(17-6)20-15(19-13)16(3,4)5/h9-10H,7-8H2,1-6H3,(H,17,19,20)
InChIKeyFOCHPSVEFTVIBJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.40
Rot. Bonds4

About 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 80977826) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID80977826
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(C(C)(C)C)nc(NC)c2C)cn1
InChIInChI=1S/C16H25N5/c1-7-8-21-10-12(9-18-21)13-11(2)14(17-6)20-15(19-13)16(3,4)5/h9-10H,7-8H2,1-6H3,(H,17,19,20)
InChIKeyFOCHPSVEFTVIBJ-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 80977826) is 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCn1cc(-c2nc(C(C)(C)C)nc(NC)c2C)cn1.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is FOCHPSVEFTVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-7-8-21-10-12(9-18-21)13-11(2)14(17-6)20-15(19-13)16(3,4)5/h9-10H,7-8H2,1-6H3,(H,17,19,20).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80977826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).