1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine

C13H21N3O — CID 113329530

IUPAC1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1nccc(C(N)CCCC2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-10-15-8-7-13(16-10)12(14)6-2-4-11-5-3-9-17-11/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyIMNWTZGBBNZWQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine

1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 113329530) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID113329530
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1nccc(C(N)CCCC2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-10-15-8-7-13(16-10)12(14)6-2-4-11-5-3-9-17-11/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyIMNWTZGBBNZWQS-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105156646
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105156665
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65164814
1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol
CID 114754924
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62747716

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine (CID 113329530) is 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine is Cc1nccc(C(N)CCCC2CCCO2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is IMNWTZGBBNZWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-15-8-7-13(16-10)12(14)6-2-4-11-5-3-9-17-11/h7-8,11-12H,2-6,9,14H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 113329530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).