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

C18H26N6O — CID 154582519

IUPAC4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
SMILESCOc1ccnc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n1
InChIInChI=1S/C18H26N6O/c1-13-20-14(18(2,3)4)12-15(21-13)23-8-10-24(11-9-23)17-19-7-6-16(22-17)25-5/h6-7,12H,8-11H2,1-5H3
InChIKeyCKJDFFATUPNJGT-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.21
Rot. Bonds3

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

4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 154582519) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID154582519
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
SMILESCOc1ccnc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n1
InChIInChI=1S/C18H26N6O/c1-13-20-14(18(2,3)4)12-15(21-13)23-8-10-24(11-9-23)17-19-7-6-16(22-17)25-5/h6-7,12H,8-11H2,1-5H3
InChIKeyCKJDFFATUPNJGT-UHFFFAOYSA-N
XLogP2.21
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine (CID 154582519) is 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine is COc1ccnc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n1.
What is the InChIKey of 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is CKJDFFATUPNJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-20-14(18(2,3)4)12-15(21-13)23-8-10-24(11-9-23)17-19-7-6-16(22-17)25-5/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 342.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 154582519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).