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

C11H17N3O — CID 79466039

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine
SMILESCc1cc(C)nc(OC2CCC(N)C2)n1
InChIInChI=1S/C11H17N3O/c1-7-5-8(2)14-11(13-7)15-10-4-3-9(12)6-10/h5,9-10H,3-4,6,12H2,1-2H3
InChIKeyIRIDBVNKKLGZDS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.35
Rot. Bonds2

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

3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine (PubChem CID 79466039) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine
PubChem CID79466039
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine
SMILESCc1cc(C)nc(OC2CCC(N)C2)n1
InChIInChI=1S/C11H17N3O/c1-7-5-8(2)14-11(13-7)15-10-4-3-9(12)6-10/h5,9-10H,3-4,6,12H2,1-2H3
InChIKeyIRIDBVNKKLGZDS-UHFFFAOYSA-N
XLogP1.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine (CID 79466039) is 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine is Cc1cc(C)nc(OC2CCC(N)C2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine?
The InChIKey is IRIDBVNKKLGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-5-8(2)14-11(13-7)15-10-4-3-9(12)6-10/h5,9-10H,3-4,6,12H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine?
3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine is sourced from PubChem (CID 79466039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).