4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C18H25N5O — CID 135645064

IUPAC4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N1CCCCC1)=NC2C1CC=CCC1
InChIInChI=1S/C18H25N5O/c1-13-12-15(24)23-16(14-8-4-2-5-9-14)20-17(21-18(23)19-13)22-10-6-3-7-11-22/h2,4,12,14,16H,3,5-11H2,1H3,(H,19,20,21)
InChIKeyNDSXEAOGJROIBK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.67
Rot. Bonds1

About 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135645064) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135645064
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N1CCCCC1)=NC2C1CC=CCC1
InChIInChI=1S/C18H25N5O/c1-13-12-15(24)23-16(14-8-4-2-5-9-14)20-17(21-18(23)19-13)22-10-6-3-7-11-22/h2,4,12,14,16H,3,5-11H2,1H3,(H,19,20,21)
InChIKeyNDSXEAOGJROIBK-UHFFFAOYSA-N
XLogP2.67
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135645064) is 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=NC2C1CC=CCC1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is NDSXEAOGJROIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-12-15(24)23-16(14-8-4-2-5-9-14)20-17(21-18(23)19-13)22-10-6-3-7-11-22/h2,4,12,14,16H,3,5-11H2,1H3,(H,19,20,21).
What are the key properties of 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).