2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C17H15F3N4O3 — CID 57345605

IUPAC2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)c2c(ccn2CC(=O)Nc2ccc(C(F)(F)F)cc2)n(C)c1=O
InChIInChI=1S/C17H15F3N4O3/c1-22-12-7-8-24(14(12)15(26)23(2)16(22)27)9-13(25)21-11-5-3-10(4-6-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,25)
InChIKeyXTJCMZFNEXELMO-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.70
Rot. Bonds3

About 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 57345605) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID57345605
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)c2c(ccn2CC(=O)Nc2ccc(C(F)(F)F)cc2)n(C)c1=O
InChIInChI=1S/C17H15F3N4O3/c1-22-12-7-8-24(14(12)15(26)23(2)16(22)27)9-13(25)21-11-5-3-10(4-6-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,25)
InChIKeyXTJCMZFNEXELMO-UHFFFAOYSA-N
XLogP1.70
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 57345605) is 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(C(F)(F)F)cc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XTJCMZFNEXELMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-22-12-7-8-24(14(12)15(26)23(2)16(22)27)9-13(25)21-11-5-3-10(4-6-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 57345605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).