4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine

C15H23N3O — CID 86769647

IUPAC4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-11-9-12(2)17-14(16-11)18-13-5-8-19-15(10-13)6-3-4-7-15/h9,13H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyBHGNYDSBHBNJIH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds2

About 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine

4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine (PubChem CID 86769647) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine
PubChem CID86769647
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-11-9-12(2)17-14(16-11)18-13-5-8-19-15(10-13)6-3-4-7-15/h9,13H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyBHGNYDSBHBNJIH-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine (CID 86769647) is 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine is Cc1cc(C)nc(NC2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine?
The InChIKey is BHGNYDSBHBNJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-12(2)17-14(16-11)18-13-5-8-19-15(10-13)6-3-4-7-15/h9,13H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine?
4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine is sourced from PubChem (CID 86769647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).