7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane

C14H22N4O — CID 56750359

IUPAC7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCCC3(CCN(C)C3)C2)ncn1
InChIInChI=1S/C14H22N4O/c1-17-7-5-14(9-17)4-3-6-18(10-14)12-8-13(19-2)16-11-15-12/h8,11H,3-7,9-10H2,1-2H3
InChIKeyOXCPIIGJSUMBJR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.41
Rot. Bonds2

About 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane

7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane (PubChem CID 56750359) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane
PubChem CID56750359
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCCC3(CCN(C)C3)C2)ncn1
InChIInChI=1S/C14H22N4O/c1-17-7-5-14(9-17)4-3-6-18(10-14)12-8-13(19-2)16-11-15-12/h8,11H,3-7,9-10H2,1-2H3
InChIKeyOXCPIIGJSUMBJR-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane (CID 56750359) is 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane is COc1cc(N2CCCC3(CCN(C)C3)C2)ncn1.
What is the InChIKey of 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane?
The InChIKey is OXCPIIGJSUMBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-7-5-14(9-17)4-3-6-18(10-14)12-8-13(19-2)16-11-15-12/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane?
7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane has a molecular weight of 262.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxypyrimidin-4-yl)-2-methyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56750359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).