6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine

C15H27N5 — CID 80795535

IUPAC6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCN(C(C)(C)C)CC2)c1C
InChIInChI=1S/C15H27N5/c1-11-13(16-6)17-12(2)18-14(11)19-7-9-20(10-8-19)15(3,4)5/h7-10H2,1-6H3,(H,16,17,18)
InChIKeyHIIULBHATNEKOE-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.06
Rot. Bonds2

About 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine

6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80795535) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80795535
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCN(C(C)(C)C)CC2)c1C
InChIInChI=1S/C15H27N5/c1-11-13(16-6)17-12(2)18-14(11)19-7-9-20(10-8-19)15(3,4)5/h7-10H2,1-6H3,(H,16,17,18)
InChIKeyHIIULBHATNEKOE-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80844651
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
6-(3,4-dimethoxypyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 103541950
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80805607
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80984497
2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80981364
6-[3-(dimethylamino)piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80856401
1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80766566

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine (CID 80795535) is 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(N2CCN(C(C)(C)C)CC2)c1C.
What is the InChIKey of 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is HIIULBHATNEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-13(16-6)17-12(2)18-14(11)19-7-9-20(10-8-19)15(3,4)5/h7-10H2,1-6H3,(H,16,17,18).
What are the key properties of 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80795535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).