2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine

C15H24ClN3 — CID 80970942

IUPAC2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCC(C)CC1
InChIInChI=1S/C15H24ClN3/c1-10-6-8-19(9-7-10)13-11(2)12(16)17-14(18-13)15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyHDGROKZQKRWRTB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.97
Rot. Bonds1

About 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine

2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 80970942) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID80970942
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCC(C)CC1
InChIInChI=1S/C15H24ClN3/c1-10-6-8-19(9-7-10)13-11(2)12(16)17-14(18-13)15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyHDGROKZQKRWRTB-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963130
2-tert-butyl-4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyrimidine
CID 80968205
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
CID 80978725
2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine
CID 80971922
4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
CID 55230084
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
CID 80977699
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891488
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
CID 83046088
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine
CID 80970909
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine (CID 80970942) is 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC(C)CC1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is HDGROKZQKRWRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10-6-8-19(9-7-10)13-11(2)12(16)17-14(18-13)15(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine?
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 281.83 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 80970942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).