2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H29N7O — CID 56715294

IUPAC2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc(C2CCCNC2)cc(N2CCC3(CC2)N=C(N(C)C)NC3=O)n1
InChIInChI=1S/C19H29N7O/c1-13-21-15(14-5-4-8-20-12-14)11-16(22-13)26-9-6-19(7-10-26)17(27)23-18(24-19)25(2)3/h11,14,20H,4-10,12H2,1-3H3,(H,23,24,27)
InChIKeyFIQHRIICYYKLAY-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.64
Rot. Bonds2

About 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 56715294) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID56715294
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc(C2CCCNC2)cc(N2CCC3(CC2)N=C(N(C)C)NC3=O)n1
InChIInChI=1S/C19H29N7O/c1-13-21-15(14-5-4-8-20-12-14)11-16(22-13)26-9-6-19(7-10-26)17(27)23-18(24-19)25(2)3/h11,14,20H,4-10,12H2,1-3H3,(H,23,24,27)
InChIKeyFIQHRIICYYKLAY-UHFFFAOYSA-N
XLogP0.64
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 56715294) is 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1nc(C2CCCNC2)cc(N2CCC3(CC2)N=C(N(C)C)NC3=O)n1.
What is the InChIKey of 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is FIQHRIICYYKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-13-21-15(14-5-4-8-20-12-14)11-16(22-13)26-9-6-19(7-10-26)17(27)23-18(24-19)25(2)3/h11,14,20H,4-10,12H2,1-3H3,(H,23,24,27).
What are the key properties of 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 371.49 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 56715294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).