2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine

C14H25N5 — CID 80984497

IUPAC2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(N2CCNCC2)c1C
InChIInChI=1S/C14H25N5/c1-10-11(15-5)17-13(14(2,3)4)18-12(10)19-8-6-16-7-9-19/h16H,6-9H2,1-5H3,(H,15,17,18)
InChIKeyWRQKVWQOZKBKCU-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.53
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 80984497) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID80984497
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(N2CCNCC2)c1C
InChIInChI=1S/C14H25N5/c1-10-11(15-5)17-13(14(2,3)4)18-12(10)19-8-6-16-7-9-19/h16H,6-9H2,1-5H3,(H,15,17,18)
InChIKeyWRQKVWQOZKBKCU-UHFFFAOYSA-N
XLogP1.53
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80981364
2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80993569
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795535
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
2-cyclopropyl-5-methyl-6-piperazin-1-yl-N-propylpyrimidin-4-amine
CID 80984339
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563125

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine (CID 80984497) is 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(N2CCNCC2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is WRQKVWQOZKBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10-11(15-5)17-13(14(2,3)4)18-12(10)19-8-6-16-7-9-19/h16H,6-9H2,1-5H3,(H,15,17,18).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80984497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).