4-cyclobutyloxy-5-methylpyrimidin-2-amine

C9H13N3O — CID 80873387

IUPAC4-cyclobutyloxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CCC1
InChIInChI=1S/C9H13N3O/c1-6-5-11-9(10)12-8(6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyJCIIQQXCUOWIED-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds2

About 4-cyclobutyloxy-5-methylpyrimidin-2-amine

4-cyclobutyloxy-5-methylpyrimidin-2-amine (PubChem CID 80873387) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-cyclobutyloxy-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyloxy-5-methylpyrimidin-2-amine
PubChem CID80873387
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-cyclobutyloxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CCC1
InChIInChI=1S/C9H13N3O/c1-6-5-11-9(10)12-8(6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyJCIIQQXCUOWIED-UHFFFAOYSA-N
XLogP1.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyloxy-5-methylpyrimidin-2-amine (CID 80873387) is 4-cyclobutyloxy-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyloxy-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
The InChIKey is JCIIQQXCUOWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-11-9(10)12-8(6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
4-cyclobutyloxy-5-methylpyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80873387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).