8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

C17H20N6O — CID 98767055

IUPAC8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCC3(CC2)CCN(c2cncnc2)C3=O)nc1
InChIInChI=1S/C17H20N6O/c1-13-8-20-16(21-9-13)22-5-2-17(3-6-22)4-7-23(15(17)24)14-10-18-12-19-11-14/h8-12H,2-7H2,1H3
InChIKeyBUWJZJGFMSJHIL-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.60
Rot. Bonds2

About 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 98767055) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID98767055
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCC3(CC2)CCN(c2cncnc2)C3=O)nc1
InChIInChI=1S/C17H20N6O/c1-13-8-20-16(21-9-13)22-5-2-17(3-6-22)4-7-23(15(17)24)14-10-18-12-19-11-14/h8-12H,2-7H2,1H3
InChIKeyBUWJZJGFMSJHIL-UHFFFAOYSA-N
XLogP1.60
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (CID 98767055) is 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(N2CCC3(CC2)CCN(c2cncnc2)C3=O)nc1.
What is the InChIKey of 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BUWJZJGFMSJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-8-20-16(21-9-13)22-5-2-17(3-6-22)4-7-23(15(17)24)14-10-18-12-19-11-14/h8-12H,2-7H2,1H3.
What are the key properties of 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 324.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 98767055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).