2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine

C11H19N3 — CID 130494265

IUPAC2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(CCC(C)(C)C)nc1N
InChIInChI=1S/C11H19N3/c1-8-7-13-9(14-10(8)12)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyARFXOGMLIBRFBX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine

2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine (PubChem CID 130494265) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
PubChem CID130494265
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(CCC(C)(C)C)nc1N
InChIInChI=1S/C11H19N3/c1-8-7-13-9(14-10(8)12)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyARFXOGMLIBRFBX-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine (CID 130494265) is 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine is Cc1cnc(CCC(C)(C)C)nc1N.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine?
The InChIKey is ARFXOGMLIBRFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-7-13-9(14-10(8)12)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine?
2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 130494265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).