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

C19H29N7O — CID 56713348

IUPAC2-(dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC(=CC(=N1)N2CCC3(CC2)C(=O)NC(=N3)N(C)C)C4CCNCC4
InChIInChI=1S/C19H29N7O/c1-13-21-15(14-4-8-20-9-5-14)12-16(22-13)26-10-6-19(7-11-26)17(27)23-18(24-19)25(2)3/h12,14,20H,4-11H2,1-3H3,(H,23,24,27)
InChIKeyVDXVPLMDSIXISW-UHFFFAOYSA-N
MW371.50 g/mol
LogP0.50
Rot. Bonds3

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

2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 56713348) has the molecular formula C19H29N7O and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID56713348
Molecular FormulaC19H29N7O
Molecular Weight371.50 g/mol
Exact Mass371.24
IUPAC Name2-(dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC(=CC(=N1)N2CCC3(CC2)C(=O)NC(=N3)N(C)C)C4CCNCC4
InChIInChI=1S/C19H29N7O/c1-13-21-15(14-4-8-20-9-5-14)12-16(22-13)26-10-6-19(7-11-26)17(27)23-18(24-19)25(2)3/h12,14,20H,4-11H2,1-3H3,(H,23,24,27)
InChIKeyVDXVPLMDSIXISW-UHFFFAOYSA-N
XLogP0.50
TPSA85.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity579

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-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-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 56713348) is 2-(dimethylamino)-8-(2-methyl-6-piperidin-4-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-4-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-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC(=CC(=N1)N2CCC3(CC2)C(=O)NC(=N3)N(C)C)C4CCNCC4.
What is the InChIKey of 2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is VDXVPLMDSIXISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-13-21-15(14-4-8-20-9-5-14)12-16(22-13)26-10-6-19(7-11-26)17(27)23-18(24-19)25(2)3/h12,14,20H,4-11H2,1-3H3,(H,23,24,27).
What are the key properties of 2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 371.50 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 56713348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).