2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine

C13H21N3 — CID 116903236

IUPAC2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nccc(C2CCC2)n1
InChIInChI=1S/C13H21N3/c1-9(2)11(8-14)13-15-7-6-12(16-13)10-4-3-5-10/h6-7,9-11H,3-5,8,14H2,1-2H3
InChIKeyXRTSJNKXLLBISH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.44
Rot. Bonds4

About 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine

2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine (PubChem CID 116903236) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
PubChem CID116903236
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nccc(C2CCC2)n1
InChIInChI=1S/C13H21N3/c1-9(2)11(8-14)13-15-7-6-12(16-13)10-4-3-5-10/h6-7,9-11H,3-5,8,14H2,1-2H3
InChIKeyXRTSJNKXLLBISH-UHFFFAOYSA-N
XLogP2.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903207
2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
CID 116967390
3-methyl-2-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116903216
2-(4-cyclobutylpyrimidin-2-yl)propan-2-amine
CID 116897705
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343260
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
4-cyclobutyl-2-methylsulfonylpyrimidine
CID 82394382
[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
CID 116902990
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
3-methyl-2-[4-(oxan-4-yl)pyrimidin-2-yl]butanenitrile
CID 116903397
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine (CID 116903236) is 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1nccc(C2CCC2)n1.
What is the InChIKey of 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine?
The InChIKey is XRTSJNKXLLBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)11(8-14)13-15-7-6-12(16-13)10-4-3-5-10/h6-7,9-11H,3-5,8,14H2,1-2H3.
What are the key properties of 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine?
2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116903236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).