5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine

C15H24N4O — CID 72868640

IUPAC5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCCC2(CCOCC2)C1
InChIInChI=1S/C15H24N4O/c1-2-12-10-17-14(16)18-13(12)19-7-3-4-15(11-19)5-8-20-9-6-15/h10H,2-9,11H2,1H3,(H2,16,17,18)
InChIKeyDZAHSOMVUHCSOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds2

About 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine

5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine (PubChem CID 72868640) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine
PubChem CID72868640
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCCC2(CCOCC2)C1
InChIInChI=1S/C15H24N4O/c1-2-12-10-17-14(16)18-13(12)19-7-3-4-15(11-19)5-8-20-9-6-15/h10H,2-9,11H2,1H3,(H2,16,17,18)
InChIKeyDZAHSOMVUHCSOP-UHFFFAOYSA-N
XLogP2.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine (CID 72868640) is 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine is CCc1cnc(N)nc1N1CCCC2(CCOCC2)C1.
What is the InChIKey of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
The InChIKey is DZAHSOMVUHCSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-12-10-17-14(16)18-13(12)19-7-3-4-15(11-19)5-8-20-9-6-15/h10H,2-9,11H2,1H3,(H2,16,17,18).
What are the key properties of 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine?
5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 72868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).