4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine

C13H19N3O — CID 122478866

IUPAC4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(OC2CCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H19N3O/c1-10-9-12(17-11-5-4-6-11)15-13(14-10)16-7-2-3-8-16/h9,11H,2-8H2,1H3
InChIKeyLJUBWVTWLSAHDK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds3

About 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine

4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 122478866) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID122478866
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(OC2CCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H19N3O/c1-10-9-12(17-11-5-4-6-11)15-13(14-10)16-7-2-3-8-16/h9,11H,2-8H2,1H3
InChIKeyLJUBWVTWLSAHDK-UHFFFAOYSA-N
XLogP2.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 143514654
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(6-cyclopentyloxy-3-pyridinyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333384
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163345455
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
4-cyclobutyloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80873770
(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
CID 80920357
2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine
CID 154850968

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 122478866) is 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine is Cc1cc(OC2CCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is LJUBWVTWLSAHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-9-12(17-11-5-4-6-11)15-13(14-10)16-7-2-3-8-16/h9,11H,2-8H2,1H3.
What are the key properties of 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 233.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 122478866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).