2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine

C11H17N3O — CID 65328331

IUPAC2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(C2CCCO2)n1
InChIInChI=1S/C11H17N3O/c1-8-7-9(4-5-12)14-11(13-8)10-3-2-6-15-10/h7,10H,2-6,12H2,1H3
InChIKeyLHTPIQZJONVZIU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.14
Rot. Bonds3

About 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine

2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine (PubChem CID 65328331) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine
PubChem CID65328331
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(C2CCCO2)n1
InChIInChI=1S/C11H17N3O/c1-8-7-9(4-5-12)14-11(13-8)10-3-2-6-15-10/h7,10H,2-6,12H2,1H3
InChIKeyLHTPIQZJONVZIU-UHFFFAOYSA-N
XLogP1.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine (CID 65328331) is 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine is Cc1cc(CCN)nc(C2CCCO2)n1.
What is the InChIKey of 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine?
The InChIKey is LHTPIQZJONVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-9(4-5-12)14-11(13-8)10-3-2-6-15-10/h7,10H,2-6,12H2,1H3.
What are the key properties of 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine?
2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 65328331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).