(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

C18H28N4O2 — CID 69493001

IUPAC(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCOc1ccnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C18H28N4O2/c1-23-16-3-8-19-17(20-16)22-9-2-6-18(14-22)7-10-21(13-18)15-4-11-24-12-5-15/h3,8,15H,2,4-7,9-14H2,1H3/t18-/m1/s1
InChIKeyCXNBZEUFHSOMJO-GOSISDBHSA-N
MW332.45 g/mol
LogP1.96
Rot. Bonds3

About (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 69493001) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID69493001
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCOc1ccnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C18H28N4O2/c1-23-16-3-8-19-17(20-16)22-9-2-6-18(14-22)7-10-21(13-18)15-4-11-24-12-5-15/h3,8,15H,2,4-7,9-14H2,1H3/t18-/m1/s1
InChIKeyCXNBZEUFHSOMJO-GOSISDBHSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane (CID 69493001) is (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane is COc1ccnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)n1.
What is the InChIKey of (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is CXNBZEUFHSOMJO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-23-16-3-8-19-17(20-16)22-9-2-6-18(14-22)7-10-21(13-18)15-4-11-24-12-5-15/h3,8,15H,2,4-7,9-14H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 332.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 69493001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).