3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine

C13H21N3 — CID 116893625

IUPAC3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1cc(CC(C)C)nc(C2CC(N)C2)n1
InChIInChI=1S/C13H21N3/c1-8(2)4-12-5-9(3)15-13(16-12)10-6-11(14)7-10/h5,8,10-11H,4,6-7,14H2,1-3H3
InChIKeyHYXWCEAJRZMNJK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.19
Rot. Bonds3

About 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine

3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine (PubChem CID 116893625) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
PubChem CID116893625
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1cc(CC(C)C)nc(C2CC(N)C2)n1
InChIInChI=1S/C13H21N3/c1-8(2)4-12-5-9(3)15-13(16-12)10-6-11(14)7-10/h5,8,10-11H,4,6-7,14H2,1-3H3
InChIKeyHYXWCEAJRZMNJK-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.19
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-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine (CID 116893625) is 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine is Cc1cc(CC(C)C)nc(C2CC(N)C2)n1.
What is the InChIKey of 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
The InChIKey is HYXWCEAJRZMNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)4-12-5-9(3)15-13(16-12)10-6-11(14)7-10/h5,8,10-11H,4,6-7,14H2,1-3H3.
What are the key properties of 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116893625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).