(4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C17H23N5O2 — CID 135896488

IUPAC(4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2[C@@H]1CC=CCC1
InChIInChI=1S/C17H23N5O2/c1-12-11-14(23)22-15(13-5-3-2-4-6-13)19-16(20-17(22)18-12)21-7-9-24-10-8-21/h2-3,11,13,15H,4-10H2,1H3,(H,18,19,20)/t13-,15-/m1/s1
InChIKeyRBNJCIXIIRGXHR-UKRRQHHQSA-N
MW329.40 g/mol
LogP1.52
Rot. Bonds1

About (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

(4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135896488) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135896488
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2[C@@H]1CC=CCC1
InChIInChI=1S/C17H23N5O2/c1-12-11-14(23)22-15(13-5-3-2-4-6-13)19-16(20-17(22)18-12)21-7-9-24-10-8-21/h2-3,11,13,15H,4-10H2,1H3,(H,18,19,20)/t13-,15-/m1/s1
InChIKeyRBNJCIXIIRGXHR-UKRRQHHQSA-N
XLogP1.52
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[(1S)-cyclohex-3-en-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136823961
(4S)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136800679
(4R)-8-methyl-4-(4-methylphenyl)-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136774632
(4R)-4-(4-chlorophenyl)-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136824244
(4R)-4-(2-hydroxyphenyl)-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768747
(4S)-4-[4-(dimethylamino)phenyl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768772
(4S)-4-[(1S)-cyclohex-3-en-1-yl]-2-(2-methoxyanilino)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136774630
8-methyl-4-[4-(3-methylbutoxy)phenyl]-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135727324
(4R)-8-methyl-4-[4-(3-methylbutoxy)phenyl]-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768749
(4S)-4-(4-chlorophenyl)-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135896482
(4R)-4-(2-hydroxyphenyl)-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136800632
(4R)-8-methyl-4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136823919

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135896488) is (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2[C@@H]1CC=CCC1.
What is the InChIKey of (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is RBNJCIXIIRGXHR-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-14(23)22-15(13-5-3-2-4-6-13)19-16(20-17(22)18-12)21-7-9-24-10-8-21/h2-3,11,13,15H,4-10H2,1H3,(H,18,19,20)/t13-,15-/m1/s1.
What are the key properties of (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
(4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-cyclohex-3-en-1-yl]-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135896488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).