2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine

C15H27N5 — CID 80983989

IUPAC2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CCN(C)C(C)C1
InChIInChI=1S/C15H27N5/c1-10-9-20(8-7-19(10)6)13-11(2)12(16)17-14(18-13)15(3,4)5/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyXHZKMOYKYOSOGO-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.81
Rot. Bonds1

About 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine (PubChem CID 80983989) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine
PubChem CID80983989
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CCN(C)C(C)C1
InChIInChI=1S/C15H27N5/c1-10-9-20(8-7-19(10)6)13-11(2)12(16)17-14(18-13)15(3,4)5/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyXHZKMOYKYOSOGO-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.81
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-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine (CID 80983989) is 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1N1CCN(C)C(C)C1.
What is the InChIKey of 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
The InChIKey is XHZKMOYKYOSOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-10-9-20(8-7-19(10)6)13-11(2)12(16)17-14(18-13)15(3,4)5/h10H,7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80983989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).