6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione

C20H23N3O3 — CID 11739678

IUPAC6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)c(NC3CCCCC3)oc2n(C)c1=O
InChIInChI=1S/C20H23N3O3/c1-22-18(24)16-15(13-9-5-3-6-10-13)17(21-14-11-7-4-8-12-14)26-19(16)23(2)20(22)25/h3,5-6,9-10,14,21H,4,7-8,11-12H2,1-2H3
InChIKeyXOMBMGAPVMZEDB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.24
Rot. Bonds3

About 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione

6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione (PubChem CID 11739678) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione
PubChem CID11739678
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)c(NC3CCCCC3)oc2n(C)c1=O
InChIInChI=1S/C20H23N3O3/c1-22-18(24)16-15(13-9-5-3-6-10-13)17(21-14-11-7-4-8-12-14)26-19(16)23(2)20(22)25/h3,5-6,9-10,14,21H,4,7-8,11-12H2,1-2H3
InChIKeyXOMBMGAPVMZEDB-UHFFFAOYSA-N
XLogP3.24
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione (CID 11739678) is 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)c(NC3CCCCC3)oc2n(C)c1=O.
What is the InChIKey of 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XOMBMGAPVMZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-18(24)16-15(13-9-5-3-6-10-13)17(21-14-11-7-4-8-12-14)26-19(16)23(2)20(22)25/h3,5-6,9-10,14,21H,4,7-8,11-12H2,1-2H3.
What are the key properties of 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione?
6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11739678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).