2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide

C15H15N3O4 — CID 53023985

IUPAC2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1oc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1C
InChIInChI=1S/C15H15N3O4/c1-9-10(2)22-14-13(9)15(20)18(8-17-14)7-12(19)16-6-11-4-3-5-21-11/h3-5,8H,6-7H2,1-2H3,(H,16,19)
InChIKeyRGWMLSJNUXRNHA-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.52
Rot. Bonds4

About 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 53023985) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID53023985
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1oc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1C
InChIInChI=1S/C15H15N3O4/c1-9-10(2)22-14-13(9)15(20)18(8-17-14)7-12(19)16-6-11-4-3-5-21-11/h3-5,8H,6-7H2,1-2H3,(H,16,19)
InChIKeyRGWMLSJNUXRNHA-UHFFFAOYSA-N
XLogP1.52
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518792
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93053068
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
CID 53024029
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(furan-2-ylmethyl)acetamide
CID 46395088
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 17442147
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 53024199
3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 45406874
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95074228
N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227332
2-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 95857463

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 53023985) is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide is Cc1oc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RGWMLSJNUXRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-10(2)22-14-13(9)15(20)18(8-17-14)7-12(19)16-6-11-4-3-5-21-11/h3-5,8H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 301.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53023985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).