hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate

C19H24N2O3 — CID 135468759

IUPAChexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate
SMILESCCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H24N2O3/c1-3-4-5-9-12-24-17(22)13-16-14(2)20-18(21-19(16)23)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,20,21,23)
InChIKeyAVYHACXHORRDPO-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.41
Rot. Bonds8

About hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate

hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate (PubChem CID 135468759) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Namehexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate
PubChem CID135468759
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namehexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate
SMILESCCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H24N2O3/c1-3-4-5-9-12-24-17(22)13-16-14(2)20-18(21-19(16)23)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,20,21,23)
InChIKeyAVYHACXHORRDPO-UHFFFAOYSA-N
XLogP3.41
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 753217
Sdccgsbi-0658292.P001
CID 9550212
Pentyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135449607
Ethyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135449514
Ethyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 753216
2-(4-ethylphenyl)-5-(2-hydroxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 135472861
ethyl 2-[6-oxo-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetate
CID 136328934
methyl 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 4737223
(4-Hydroxy-6-methyl-2-phenyl-pyrimidin-5-yl)-acetic acid
CID 135436001
Methyl (6-hydroxy-2-phenylpyrimidin-4-yl)acetate
CID 135657771
Ethyl 2-(4-hydroxy-2-phenylpyrimidin-5-yl)acetate
CID 129840497
Ethyl (7-hydroxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 753221

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
The IUPAC name of hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate (CID 135468759) is hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate is CCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
The InChIKey is AVYHACXHORRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-4-5-9-12-24-17(22)13-16-14(2)20-18(21-19(16)23)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,20,21,23).
What are the key properties of hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate has a molecular weight of 328.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 135468759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).