4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine

C17H23ClN6 — CID 154582470

IUPAC4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
SMILESCc1nc(N2CCN(c3ncc(Cl)cn3)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H23ClN6/c1-12-21-14(17(2,3)4)9-15(22-12)23-5-7-24(8-6-23)16-19-10-13(18)11-20-16/h9-11H,5-8H2,1-4H3
InChIKeyATWGOIUFGDWCJD-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.85
Rot. Bonds2

About 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine

4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 154582470) has the molecular formula C17H23ClN6 and a molecular weight of 346.87 g/mol. Its IUPAC name is 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID154582470
Molecular FormulaC17H23ClN6
Molecular Weight346.87 g/mol
Exact Mass346.17
IUPAC Name4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
SMILESCc1nc(N2CCN(c3ncc(Cl)cn3)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H23ClN6/c1-12-21-14(17(2,3)4)9-15(22-12)23-5-7-24(8-6-23)16-19-10-13(18)11-20-16/h9-11H,5-8H2,1-4H3
InChIKeyATWGOIUFGDWCJD-UHFFFAOYSA-N
XLogP2.85
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-5-chloropyrimidine
CID 139027065
4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582519
N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875572
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-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582650
2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 171334597
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-tert-butylpyrimidine
CID 139027092
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154582485
4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 154582463
5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171998892
4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
CID 147484596

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine (CID 154582470) is 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine is Cc1nc(N2CCN(c3ncc(Cl)cn3)CC2)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is ATWGOIUFGDWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6/c1-12-21-14(17(2,3)4)9-15(22-12)23-5-7-24(8-6-23)16-19-10-13(18)11-20-16/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 346.87 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 154582470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).