2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine

C15H26ClN3 — CID 103463623

IUPAC2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
SMILESCCC(C)(C)CNc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C15H26ClN3/c1-8-15(6,7)9-17-12-10(2)11(16)18-13(19-12)14(3,4)5/h8-9H2,1-7H3,(H,17,18,19)
InChIKeyONMCGKOIMPJELP-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.58
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine (PubChem CID 103463623) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
PubChem CID103463623
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
SMILESCCC(C)(C)CNc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C15H26ClN3/c1-8-15(6,7)9-17-12-10(2)11(16)18-13(19-12)14(3,4)5/h8-9H2,1-7H3,(H,17,18,19)
InChIKeyONMCGKOIMPJELP-UHFFFAOYSA-N
XLogP4.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine (CID 103463623) is 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine is CCC(C)(C)CNc1nc(C(C)(C)C)nc(Cl)c1C.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine?
The InChIKey is ONMCGKOIMPJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-8-15(6,7)9-17-12-10(2)11(16)18-13(19-12)14(3,4)5/h8-9H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine has a molecular weight of 283.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103463623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).