4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine

C16H26ClN3 — CID 114594505

IUPAC4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CC(C)CC(C)C1C
InChIInChI=1S/C16H26ClN3/c1-9(2)15-18-14(17)12(5)16(19-15)20-8-10(3)7-11(4)13(20)6/h9-11,13H,7-8H2,1-6H3
InChIKeyDYYQTVRJNHNHIU-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.43
Rot. Bonds2

About 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine

4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine (PubChem CID 114594505) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
PubChem CID114594505
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CC(C)CC(C)C1C
InChIInChI=1S/C16H26ClN3/c1-9(2)15-18-14(17)12(5)16(19-15)20-8-10(3)7-11(4)13(20)6/h9-11,13H,7-8H2,1-6H3
InChIKeyDYYQTVRJNHNHIU-UHFFFAOYSA-N
XLogP4.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
CID 80977670
[2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 114597979
4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
N-ethyl-2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-amine
CID 114597881
4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine
CID 80978002
5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076979
4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970665
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856688
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 80970597
6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978639
[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol
CID 114594756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine (CID 114594505) is 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine is Cc1c(Cl)nc(C(C)C)nc1N1CC(C)CC(C)C1C.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
The InChIKey is DYYQTVRJNHNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-9(2)15-18-14(17)12(5)16(19-15)20-8-10(3)7-11(4)13(20)6/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine has a molecular weight of 295.86 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 114594505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).