ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane

C15H26N4 — CID 171069701

IUPACethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane
SMILESCC.Cc1cnc(N2CC3(CCN(C)CC3)C2)nc1
InChIInChI=1S/C13H20N4.C2H6/c1-11-7-14-12(15-8-11)17-9-13(10-17)3-5-16(2)6-4-13;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3
InChIKeyKOUVBEVQKIUYLE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.34
Rot. Bonds1

About ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane

ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane (PubChem CID 171069701) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane
PubChem CID171069701
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Nameethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane
SMILESCC.Cc1cnc(N2CC3(CCN(C)CC3)C2)nc1
InChIInChI=1S/C13H20N4.C2H6/c1-11-7-14-12(15-8-11)17-9-13(10-17)3-5-16(2)6-4-13;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3
InChIKeyKOUVBEVQKIUYLE-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane (CID 171069701) is ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane is CC.Cc1cnc(N2CC3(CCN(C)CC3)C2)nc1.
What is the InChIKey of ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is KOUVBEVQKIUYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4.C2H6/c1-11-7-14-12(15-8-11)17-9-13(10-17)3-5-16(2)6-4-13;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane?
ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 262.40 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171069701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).