2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide

C18H22N6O3 — CID 67502128

IUPAC2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(CCNC(=O)Cn2nnc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H22N6O3/c1-4-12-5-7-13(8-6-12)9-10-19-14(25)11-24-15-16(20-21-24)22(2)18(27)23(3)17(15)26/h5-8H,4,9-11H2,1-3H3,(H,19,25)
InChIKeyOXVMFGDIUSBBAX-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.25
Rot. Bonds6

About 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide

2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide (PubChem CID 67502128) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide
PubChem CID67502128
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(CCNC(=O)Cn2nnc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H22N6O3/c1-4-12-5-7-13(8-6-12)9-10-19-14(25)11-24-15-16(20-21-24)22(2)18(27)23(3)17(15)26/h5-8H,4,9-11H2,1-3H3,(H,19,25)
InChIKeyOXVMFGDIUSBBAX-UHFFFAOYSA-N
XLogP-0.25
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-2-(6-hydroxy-4,5-dimethylpyrrolo[2,3-d]imidazol-1-yl)acetamide
CID 123202334
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 122635897
N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 27646584
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4785365
2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 87424137
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7110304
N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
CID 24844051
methyl (2S)-2-[[(2S)-2-[[2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoate
CID 24762670
2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 1373830

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide (CID 67502128) is 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(CCNC(=O)Cn2nnc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is OXVMFGDIUSBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-4-12-5-7-13(8-6-12)9-10-19-14(25)11-24-15-16(20-21-24)22(2)18(27)23(3)17(15)26/h5-8H,4,9-11H2,1-3H3,(H,19,25).
What are the key properties of 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide?
2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 67502128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).