3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine

C13H15N3O — CID 116899196

IUPAC3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2ccnc(C3CC(N)C3)n2)o1
InChIInChI=1S/C13H15N3O/c1-8-2-3-12(17-8)11-4-5-15-13(16-11)9-6-10(14)7-9/h2-5,9-10H,6-7,14H2,1H3
InChIKeyASAOQPJHURGZII-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.25
Rot. Bonds2

About 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine

3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine (PubChem CID 116899196) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
PubChem CID116899196
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2ccnc(C3CC(N)C3)n2)o1
InChIInChI=1S/C13H15N3O/c1-8-2-3-12(17-8)11-4-5-15-13(16-11)9-6-10(14)7-9/h2-5,9-10H,6-7,14H2,1H3
InChIKeyASAOQPJHURGZII-UHFFFAOYSA-N
XLogP2.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
[4-(5-methylfuran-2-yl)pyrimidin-2-yl]methanol
CID 116899503
4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901849
3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
CID 116899147
2-methoxy-4-(5-methylfuran-2-yl)pyrimidine
CID 116903833
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanol
CID 116902206
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
CID 116902136
4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
CID 116898947
2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-ol
CID 116902086
3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899145
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine (CID 116899196) is 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine is Cc1ccc(-c2ccnc(C3CC(N)C3)n2)o1.
What is the InChIKey of 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine?
The InChIKey is ASAOQPJHURGZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-2-3-12(17-8)11-4-5-15-13(16-11)9-6-10(14)7-9/h2-5,9-10H,6-7,14H2,1H3.
What are the key properties of 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine?
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116899196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).