5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

C21H20N4O2 — CID 5329807

IUPAC5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H20N4O2/c1-25(2)15-8-4-13(5-9-15)17-18-20(22)23-12-24-21(18)27-19(17)14-6-10-16(26-3)11-7-14/h4-12H,1-3H3,(H2,22,23,24)
InChIKeyAICMELCBVMDBIX-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.21
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 5329807) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID5329807
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H20N4O2/c1-25(2)15-8-4-13(5-9-15)17-18-20(22)23-12-24-21(18)27-19(17)14-6-10-16(26-3)11-7-14/h4-12H,1-3H3,(H2,22,23,24)
InChIKeyAICMELCBVMDBIX-UHFFFAOYSA-N
XLogP4.21
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (CID 5329807) is 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is AICMELCBVMDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(2)15-8-4-13(5-9-15)17-18-20(22)23-12-24-21(18)27-19(17)14-6-10-16(26-3)11-7-14/h4-12H,1-3H3,(H2,22,23,24).
What are the key properties of 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5329807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).