3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine

C15H17N3 — CID 116893630

IUPAC3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cc(-c2ccccc2)nc(C2CC(N)C2)n1
InChIInChI=1S/C15H17N3/c1-10-7-14(11-5-3-2-4-6-11)18-15(17-10)12-8-13(16)9-12/h2-7,12-13H,8-9,16H2,1H3
InChIKeyGMKRJFIXBGEBMO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.66
Rot. Bonds2

About 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine

3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine (PubChem CID 116893630) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
PubChem CID116893630
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cc(-c2ccccc2)nc(C2CC(N)C2)n1
InChIInChI=1S/C15H17N3/c1-10-7-14(11-5-3-2-4-6-11)18-15(17-10)12-8-13(16)9-12/h2-7,12-13H,8-9,16H2,1H3
InChIKeyGMKRJFIXBGEBMO-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine (CID 116893630) is 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine is Cc1cc(-c2ccccc2)nc(C2CC(N)C2)n1.
What is the InChIKey of 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine?
The InChIKey is GMKRJFIXBGEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-7-14(11-5-3-2-4-6-11)18-15(17-10)12-8-13(16)9-12/h2-7,12-13H,8-9,16H2,1H3.
What are the key properties of 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine?
3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116893630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).