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

C20H28N8 — CID 154582671

IUPAC7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C20H28N8/c1-13-14(2)23-19-21-12-22-28(19)18(13)27-9-7-26(8-10-27)17-11-16(20(4,5)6)24-15(3)25-17/h11-12H,7-10H2,1-6H3
InChIKeyFVBVORUZWUYUMS-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.46
Rot. Bonds2

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

7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 154582671) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID154582671
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C20H28N8/c1-13-14(2)23-19-21-12-22-28(19)18(13)27-9-7-26(8-10-27)17-11-16(20(4,5)6)24-15(3)25-17/h11-12H,7-10H2,1-6H3
InChIKeyFVBVORUZWUYUMS-UHFFFAOYSA-N
XLogP2.46
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.46
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-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582650
7-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 139023388
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155976480
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521895
6-tert-butyl-3-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944353
7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155975195
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582470
7-(4-imidazo[1,2-b]pyridazin-6-yl-1,4-diazepan-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163344998
5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976182
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 154582671) is 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[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]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)cc(C(C)(C)C)n1.
What is the InChIKey of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FVBVORUZWUYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8/c1-13-14(2)23-19-21-12-22-28(19)18(13)27-9-7-26(8-10-27)17-11-16(20(4,5)6)24-15(3)25-17/h11-12H,7-10H2,1-6H3.
What are the key properties of 7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 380.50 g/mol, XLogP of 2.46, 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]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154582671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).