2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide

C19H15FN4O4 — CID 45498928

IUPAC2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccco1
InChIInChI=1S/C19H15FN4O4/c20-14-6-2-1-5-12(14)13-9-22-17-16(13)23-19(27)24(18(17)26)10-15(25)21-8-11-4-3-7-28-11/h1-7,9,22H,8,10H2,(H,21,25)(H,23,27)
InChIKeyCRVLVPDKTCNOMH-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.73
Rot. Bonds5

About 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide

2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 45498928) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID45498928
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccco1
InChIInChI=1S/C19H15FN4O4/c20-14-6-2-1-5-12(14)13-9-22-17-16(13)23-19(27)24(18(17)26)10-15(25)21-8-11-4-3-7-28-11/h1-7,9,22H,8,10H2,(H,21,25)(H,23,27)
InChIKeyCRVLVPDKTCNOMH-UHFFFAOYSA-N
XLogP1.73
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 45498928) is 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccco1.
What is the InChIKey of 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CRVLVPDKTCNOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c20-14-6-2-1-5-12(14)13-9-22-17-16(13)23-19(27)24(18(17)26)10-15(25)21-8-11-4-3-7-28-11/h1-7,9,22H,8,10H2,(H,21,25)(H,23,27).
What are the key properties of 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 382.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 45498928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).