3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine

C10H15N3 — CID 116893628

IUPAC3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cc(C)nc(C2CC(N)C2)n1
InChIInChI=1S/C10H15N3/c1-6-3-7(2)13-10(12-6)8-4-9(11)5-8/h3,8-9H,4-5,11H2,1-2H3
InChIKeyNCTJCVQXNIMGHU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.30
Rot. Bonds1

About 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine

3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine (PubChem CID 116893628) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine
PubChem CID116893628
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cc(C)nc(C2CC(N)C2)n1
InChIInChI=1S/C10H15N3/c1-6-3-7(2)13-10(12-6)8-4-9(11)5-8/h3,8-9H,4-5,11H2,1-2H3
InChIKeyNCTJCVQXNIMGHU-UHFFFAOYSA-N
XLogP1.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine (CID 116893628) is 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine is Cc1cc(C)nc(C2CC(N)C2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine?
The InChIKey is NCTJCVQXNIMGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-6-3-7(2)13-10(12-6)8-4-9(11)5-8/h3,8-9H,4-5,11H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine?
3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116893628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).