4-cyclobutyl-6-piperidin-4-ylpyrimidine

C13H19N3 — CID 83849257

IUPAC4-cyclobutyl-6-piperidin-4-ylpyrimidine
SMILESc1nc(C2CCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C13H19N3/c1-2-10(3-1)12-8-13(16-9-15-12)11-4-6-14-7-5-11/h8-11,14H,1-7H2
InChIKeyRTEVYJUTDVBFDE-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.21
Rot. Bonds2

About 4-cyclobutyl-6-piperidin-4-ylpyrimidine

4-cyclobutyl-6-piperidin-4-ylpyrimidine (PubChem CID 83849257) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-cyclobutyl-6-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-piperidin-4-ylpyrimidine
PubChem CID83849257
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-cyclobutyl-6-piperidin-4-ylpyrimidine
SMILESc1nc(C2CCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C13H19N3/c1-2-10(3-1)12-8-13(16-9-15-12)11-4-6-14-7-5-11/h8-11,14H,1-7H2
InChIKeyRTEVYJUTDVBFDE-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dicyclopentylpyrimidine
CID 71817735
ethane;4-methyl-6-piperidin-4-ylpyrimidine
CID 156866594
4-ethyl-6-piperidin-4-ylpyrimidine
CID 83847190
3-(azepan-4-yl)isoquinoline
CID 57157960
4-cyclobutyl-6-ethynylpyrimidine
CID 122241553
7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
CID 171337916
4-bromo-2-piperidin-4-ylpyridine
CID 76848192
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985
4-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyridine
CID 95844382
1-(6-cyclobutylpyrimidin-4-yl)propan-2-amine
CID 83847176
4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine
CID 95846621
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56716563

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-piperidin-4-ylpyrimidine?
The IUPAC name of 4-cyclobutyl-6-piperidin-4-ylpyrimidine (CID 83849257) is 4-cyclobutyl-6-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-cyclobutyl-6-piperidin-4-ylpyrimidine is c1nc(C2CCC2)cc(C2CCNCC2)n1.
What is the InChIKey of 4-cyclobutyl-6-piperidin-4-ylpyrimidine?
The InChIKey is RTEVYJUTDVBFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-10(3-1)12-8-13(16-9-15-12)11-4-6-14-7-5-11/h8-11,14H,1-7H2.
What are the key properties of 4-cyclobutyl-6-piperidin-4-ylpyrimidine?
4-cyclobutyl-6-piperidin-4-ylpyrimidine has a molecular weight of 217.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-piperidin-4-ylpyrimidine is sourced from PubChem (CID 83849257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).