2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine

C15H25ClN4 — CID 114539092

IUPAC2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)nc(C(C)(C)C)n2)CC(C)N1C
InChIInChI=1S/C15H25ClN4/c1-10-8-20(9-11(2)19(10)6)13-7-12(16)17-14(18-13)15(3,4)5/h7,10-11H,8-9H2,1-6H3
InChIKeySDBWRORDOPSESK-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.96
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine

2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine (PubChem CID 114539092) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
PubChem CID114539092
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)nc(C(C)(C)C)n2)CC(C)N1C
InChIInChI=1S/C15H25ClN4/c1-10-8-20(9-11(2)19(10)6)13-7-12(16)17-14(18-13)15(3,4)5/h7,10-11H,8-9H2,1-6H3
InChIKeySDBWRORDOPSESK-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine (CID 114539092) is 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine is CC1CN(c2cc(Cl)nc(C(C)(C)C)n2)CC(C)N1C.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine?
The InChIKey is SDBWRORDOPSESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-10-8-20(9-11(2)19(10)6)13-7-12(16)17-14(18-13)15(3,4)5/h7,10-11H,8-9H2,1-6H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine?
2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine has a molecular weight of 296.85 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 114539092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).