5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine

C15H23N3O — CID 72873288

IUPAC5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine
SMILESCCc1cnc(NC2COC3(CCCCC3)C2)nc1
InChIInChI=1S/C15H23N3O/c1-2-12-9-16-14(17-10-12)18-13-8-15(19-11-13)6-4-3-5-7-15/h9-10,13H,2-8,11H2,1H3,(H,16,17,18)
InChIKeyVQEOCWHWWKRHHC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds3

About 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine

5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine (PubChem CID 72873288) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine
PubChem CID72873288
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine
SMILESCCc1cnc(NC2COC3(CCCCC3)C2)nc1
InChIInChI=1S/C15H23N3O/c1-2-12-9-16-14(17-10-12)18-13-8-15(19-11-13)6-4-3-5-7-15/h9-10,13H,2-8,11H2,1H3,(H,16,17,18)
InChIKeyVQEOCWHWWKRHHC-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine (CID 72873288) is 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine is CCc1cnc(NC2COC3(CCCCC3)C2)nc1.
What is the InChIKey of 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine?
The InChIKey is VQEOCWHWWKRHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-12-9-16-14(17-10-12)18-13-8-15(19-11-13)6-4-3-5-7-15/h9-10,13H,2-8,11H2,1H3,(H,16,17,18).
What are the key properties of 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine?
5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-oxaspiro[4.5]decan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 72873288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).