6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione

C22H21N3O4 — CID 71945914

IUPAC6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1c(NCc2ccccc2)oc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H21N3O4/c1-24-20(26)18-17(15-11-7-8-12-16(15)28-3)19(29-21(18)25(2)22(24)27)23-13-14-9-5-4-6-10-14/h4-12,23H,13H2,1-3H3
InChIKeyIMEXWTQOOJZUHZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.12
Rot. Bonds5

About 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione

6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (PubChem CID 71945914) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
PubChem CID71945914
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1c(NCc2ccccc2)oc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H21N3O4/c1-24-20(26)18-17(15-11-7-8-12-16(15)28-3)19(29-21(18)25(2)22(24)27)23-13-14-9-5-4-6-10-14/h4-12,23H,13H2,1-3H3
InChIKeyIMEXWTQOOJZUHZ-UHFFFAOYSA-N
XLogP3.12
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (CID 71945914) is 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-c1c(NCc2ccccc2)oc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IMEXWTQOOJZUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-24-20(26)18-17(15-11-7-8-12-16(15)28-3)19(29-21(18)25(2)22(24)27)23-13-14-9-5-4-6-10-14/h4-12,23H,13H2,1-3H3.
What are the key properties of 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione has a molecular weight of 391.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71945914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).