4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine

C13H20ClN3 — CID 80970489

IUPAC4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCCCC1
InChIInChI=1S/C13H20ClN3/c1-9(2)12-15-11(14)10(3)13(16-12)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3
InChIKeySICNRJCIIMOGJT-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.55
Rot. Bonds2

About 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine

4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine (PubChem CID 80970489) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
PubChem CID80970489
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCCCC1
InChIInChI=1S/C13H20ClN3/c1-9(2)12-15-11(14)10(3)13(16-12)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3
InChIKeySICNRJCIIMOGJT-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-cyclopropyl-5-methylpyrimidine
CID 54595731
6-Chloro-2-Cyclopropyl-5-Methyl-N-Propylpyrimidin-4-Amine
CID 80970780
6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 77230235
4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567736
1-(2-Cyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimidin-4-yl)azepane
CID 44430456
6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80970089
4-Chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
CID 80970589
6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970789
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80971037
4-Chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 80971319
4-Chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine
CID 80978295
4,6-Dichloro-5-methyl-2-(2-methylpropyl)pyrimidine
CID 54595783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine (CID 80970489) is 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1N1CCCCC1.
What is the InChIKey of 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine?
The InChIKey is SICNRJCIIMOGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9(2)12-15-11(14)10(3)13(16-12)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine?
4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.55, 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-6-piperidin-1-yl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80970489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).