4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine

C13H18ClN3 — CID 80970589

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCCCC1
InChIInChI=1S/C13H18ClN3/c1-9-11(14)15-12(10-5-6-10)16-13(9)17-7-3-2-4-8-17/h10H,2-8H2,1H3
InChIKeyZOJAPHKKITYAEQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine (PubChem CID 80970589) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
PubChem CID80970589
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCCCC1
InChIInChI=1S/C13H18ClN3/c1-9-11(14)15-12(10-5-6-10)16-13(9)17-7-3-2-4-8-17/h10H,2-8H2,1H3
InChIKeyZOJAPHKKITYAEQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine (CID 80970589) is 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCCCC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine?
The InChIKey is ZOJAPHKKITYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9-11(14)15-12(10-5-6-10)16-13(9)17-7-3-2-4-8-17/h10H,2-8H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine has a molecular weight of 251.76 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 80970589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).