2-butan-2-ylpyrimidin-4-amine

C8H13N3 — CID 62313263

IUPAC2-butan-2-ylpyrimidin-4-amine
SMILESCCC(C)c1nccc(N)n1
InChIInChI=1S/C8H13N3/c1-3-6(2)8-10-5-4-7(9)11-8/h4-6H,3H2,1-2H3,(H2,9,10,11)
InChIKeyJPJGUHDGTDLKPA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 2-butan-2-ylpyrimidin-4-amine

2-butan-2-ylpyrimidin-4-amine (PubChem CID 62313263) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-butan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-butan-2-ylpyrimidin-4-amine
PubChem CID62313263
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-butan-2-ylpyrimidin-4-amine
SMILESCCC(C)c1nccc(N)n1
InChIInChI=1S/C8H13N3/c1-3-6(2)8-10-5-4-7(9)11-8/h4-6H,3H2,1-2H3,(H2,9,10,11)
InChIKeyJPJGUHDGTDLKPA-UHFFFAOYSA-N
XLogP1.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-butan-2-ylpyrimidin-4-amine (CID 62313263) is 2-butan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-butan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-butan-2-ylpyrimidin-4-amine is CCC(C)c1nccc(N)n1.
What is the InChIKey of 2-butan-2-ylpyrimidin-4-amine?
The InChIKey is JPJGUHDGTDLKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-6(2)8-10-5-4-7(9)11-8/h4-6H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-butan-2-ylpyrimidin-4-amine?
2-butan-2-ylpyrimidin-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62313263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).