11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C18H28N4O2 — CID 155901883

IUPAC11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCOc1cc(N2CCCC3(COCCN(CC4CC4)C3)C2)ncn1
InChIInChI=1S/C18H28N4O2/c1-23-17-9-16(19-14-20-17)22-6-2-5-18(12-22)11-21(7-8-24-13-18)10-15-3-4-15/h9,14-15H,2-8,10-13H2,1H3
InChIKeyDFGHGCNPHJBJOF-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.81
Rot. Bonds4

About 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 155901883) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID155901883
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCOc1cc(N2CCCC3(COCCN(CC4CC4)C3)C2)ncn1
InChIInChI=1S/C18H28N4O2/c1-23-17-9-16(19-14-20-17)22-6-2-5-18(12-22)11-21(7-8-24-13-18)10-15-3-4-15/h9,14-15H,2-8,10-13H2,1H3
InChIKeyDFGHGCNPHJBJOF-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 155901883) is 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is COc1cc(N2CCCC3(COCCN(CC4CC4)C3)C2)ncn1.
What is the InChIKey of 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is DFGHGCNPHJBJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-23-17-9-16(19-14-20-17)22-6-2-5-18(12-22)11-21(7-8-24-13-18)10-15-3-4-15/h9,14-15H,2-8,10-13H2,1H3.
What are the key properties of 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 332.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 155901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).