8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C17H20N4O2 — CID 4114575

IUPAC8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nc(-c2ccccn2)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C17H20N4O2/c1-13-19-15(14-4-2-3-7-18-14)12-16(20-13)21-8-5-17(6-9-21)22-10-11-23-17/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyHKRYUVIEMVPBMJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.19
Rot. Bonds2

About 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 4114575) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID4114575
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nc(-c2ccccn2)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C17H20N4O2/c1-13-19-15(14-4-2-3-7-18-14)12-16(20-13)21-8-5-17(6-9-21)22-10-11-23-17/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyHKRYUVIEMVPBMJ-UHFFFAOYSA-N
XLogP2.19
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 4114575) is 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Cc1nc(-c2ccccn2)cc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HKRYUVIEMVPBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-19-15(14-4-2-3-7-18-14)12-16(20-13)21-8-5-17(6-9-21)22-10-11-23-17/h2-4,7,12H,5-6,8-11H2,1H3.
What are the key properties of 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 312.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 4114575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).