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

C17H28ClN3 — CID 83046088

IUPAC2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C17H28ClN3/c1-6-9-13-10-7-8-11-21(13)15-12(2)14(18)19-16(20-15)17(3,4)5/h13H,6-11H2,1-5H3
InChIKeyXHYFBILBQDSQKU-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.89
Rot. Bonds3

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

2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine (PubChem CID 83046088) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
PubChem CID83046088
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C17H28ClN3/c1-6-9-13-10-7-8-11-21(13)15-12(2)14(18)19-16(20-15)17(3,4)5/h13H,6-11H2,1-5H3
InChIKeyXHYFBILBQDSQKU-UHFFFAOYSA-N
XLogP4.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
CID 83056222
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
CID 80978725
[5-methyl-2-propan-2-yl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83043823
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818
1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80971751
2-tert-butyl-4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyrimidine
CID 80968205
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine
CID 80971922
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine (CID 83046088) is 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine is CCCC1CCCCN1c1nc(C(C)(C)C)nc(Cl)c1C.
What is the InChIKey of 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine?
The InChIKey is XHYFBILBQDSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-6-9-13-10-7-8-11-21(13)15-12(2)14(18)19-16(20-15)17(3,4)5/h13H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine?
2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine has a molecular weight of 309.88 g/mol, XLogP of 4.89, 3 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-(2-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 83046088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).