1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H27N5O2 — CID 70767993

IUPAC1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(Cc1cc(=O)n3ccccc3n1)CCN2C
InChIInChI=1S/C20H27N5O2/c1-22-10-8-20(7-6-18(22)26)15-24(12-11-23(20)2)14-16-13-19(27)25-9-4-3-5-17(25)21-16/h3-5,9,13H,6-8,10-12,14-15H2,1-2H3
InChIKeyFGEJJKBIQBDHRD-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.82
Rot. Bonds2

About 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70767993) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70767993
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(Cc1cc(=O)n3ccccc3n1)CCN2C
InChIInChI=1S/C20H27N5O2/c1-22-10-8-20(7-6-18(22)26)15-24(12-11-23(20)2)14-16-13-19(27)25-9-4-3-5-17(25)21-16/h3-5,9,13H,6-8,10-12,14-15H2,1-2H3
InChIKeyFGEJJKBIQBDHRD-UHFFFAOYSA-N
XLogP0.82
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70767993) is 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(Cc1cc(=O)n3ccccc3n1)CCN2C.
What is the InChIKey of 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is FGEJJKBIQBDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-22-10-8-20(7-6-18(22)26)15-24(12-11-23(20)2)14-16-13-19(27)25-9-4-3-5-17(25)21-16/h3-5,9,13H,6-8,10-12,14-15H2,1-2H3.
What are the key properties of 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 369.47 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70767993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).