3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H19N5O3 — CID 70742151

IUPAC3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cccn2c(=O)cc(CN3C(=O)NC4(CCNCC4)C3=O)nc12
InChIInChI=1S/C17H19N5O3/c1-11-3-2-8-21-13(23)9-12(19-14(11)21)10-22-15(24)17(20-16(22)25)4-6-18-7-5-17/h2-3,8-9,18H,4-7,10H2,1H3,(H,20,25)
InChIKeyLSKXGFKAVWSRJP-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.18
Rot. Bonds2

About 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70742151) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70742151
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cccn2c(=O)cc(CN3C(=O)NC4(CCNCC4)C3=O)nc12
InChIInChI=1S/C17H19N5O3/c1-11-3-2-8-21-13(23)9-12(19-14(11)21)10-22-15(24)17(20-16(22)25)4-6-18-7-5-17/h2-3,8-9,18H,4-7,10H2,1H3,(H,20,25)
InChIKeyLSKXGFKAVWSRJP-UHFFFAOYSA-N
XLogP0.18
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70742151) is 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cccn2c(=O)cc(CN3C(=O)NC4(CCNCC4)C3=O)nc12.
What is the InChIKey of 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LSKXGFKAVWSRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-3-2-8-21-13(23)9-12(19-14(11)21)10-22-15(24)17(20-16(22)25)4-6-18-7-5-17/h2-3,8-9,18H,4-7,10H2,1H3,(H,20,25).
What are the key properties of 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70742151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).