2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane

C15H22ClN3 — CID 113248905

IUPAC2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane
SMILESCCc1nc(Cl)c(C)c(N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C15H22ClN3/c1-3-12-17-13(16)11(2)14(18-12)19-9-8-15(10-19)6-4-5-7-15/h3-10H2,1-2H3
InChIKeyRXNVVHJYLRPVNC-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.77
Rot. Bonds2

About 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane

2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane (PubChem CID 113248905) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane
PubChem CID113248905
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane
SMILESCCc1nc(Cl)c(C)c(N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C15H22ClN3/c1-3-12-17-13(16)11(2)14(18-12)19-9-8-15(10-19)6-4-5-7-15/h3-10H2,1-2H3
InChIKeyRXNVVHJYLRPVNC-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane?
The IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane (CID 113248905) is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane is CCc1nc(Cl)c(C)c(N2CCC3(CCCC3)C2)n1.
What is the InChIKey of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane?
The InChIKey is RXNVVHJYLRPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-3-12-17-13(16)11(2)14(18-12)19-9-8-15(10-19)6-4-5-7-15/h3-10H2,1-2H3.
What are the key properties of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane?
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane has a molecular weight of 279.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 113248905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).