7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H26N8 — CID 154582650

IUPAC7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n2ncnc2n1
InChIInChI=1S/C19H26N8/c1-13-10-17(27-18(22-13)20-12-21-27)26-8-6-25(7-9-26)16-11-15(19(3,4)5)23-14(2)24-16/h10-12H,6-9H2,1-5H3
InChIKeyGBVAANMBOBFAOL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.16
Rot. Bonds2

About 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 154582650) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID154582650
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n2ncnc2n1
InChIInChI=1S/C19H26N8/c1-13-10-17(27-18(22-13)20-12-21-27)26-8-6-25(7-9-26)16-11-15(19(3,4)5)23-14(2)24-16/h10-12H,6-9H2,1-5H3
InChIKeyGBVAANMBOBFAOL-UHFFFAOYSA-N
XLogP2.16
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582671
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
7-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47058431
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019
7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 139027268

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 154582650) is 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n2ncnc2n1.
What is the InChIKey of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GBVAANMBOBFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-13-10-17(27-18(22-13)20-12-21-27)26-8-6-25(7-9-26)16-11-15(19(3,4)5)23-14(2)24-16/h10-12H,6-9H2,1-5H3.
What are the key properties of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154582650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).