N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C25H28N4O3 — CID 4900669

IUPACN-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(-c2oc3ncnc(NCCCN(C)C)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-29(2)15-5-14-26-24-22-21(17-6-10-19(30-3)11-7-17)23(32-25(22)28-16-27-24)18-8-12-20(31-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,26,27,28)
InChIKeyXIUAANLDHNUJQU-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.94
Rot. Bonds9

About N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 4900669) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID4900669
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(-c2oc3ncnc(NCCCN(C)C)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-29(2)15-5-14-26-24-22-21(17-6-10-19(30-3)11-7-17)23(32-25(22)28-16-27-24)18-8-12-20(31-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,26,27,28)
InChIKeyXIUAANLDHNUJQU-UHFFFAOYSA-N
XLogP4.94
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 4900669) is N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is COc1ccc(-c2oc3ncnc(NCCCN(C)C)c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is XIUAANLDHNUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-29(2)15-5-14-26-24-22-21(17-6-10-19(30-3)11-7-17)23(32-25(22)28-16-27-24)18-8-12-20(31-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,26,27,28).
What are the key properties of N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 432.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 4900669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).