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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Related Compounds

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
2-tert-butyl-4-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80946423
2-tert-butyl-4-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80947034
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400
2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine
CID 80951560
(4aR,8aR)-1-(2-tert-butyl-6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727530
4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine
CID 114538908
2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541823

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).