3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide

C22H20N4O3 — CID 134138534

IUPAC3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide
SMILESCOc1ccc(-c2cc3c(NC(CC(N)=O)c4ccccc4)ncnc3o2)cc1
InChIInChI=1S/C22H20N4O3/c1-28-16-9-7-15(8-10-16)19-11-17-21(24-13-25-22(17)29-19)26-18(12-20(23)27)14-5-3-2-4-6-14/h2-11,13,18H,12H2,1H3,(H2,23,27)(H,24,25,26)
InChIKeyXWRRGLKSBBKFNB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.93
Rot. Bonds7

About 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide

3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide (PubChem CID 134138534) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide
PubChem CID134138534
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide
SMILESCOc1ccc(-c2cc3c(NC(CC(N)=O)c4ccccc4)ncnc3o2)cc1
InChIInChI=1S/C22H20N4O3/c1-28-16-9-7-15(8-10-16)19-11-17-21(24-13-25-22(17)29-19)26-18(12-20(23)27)14-5-3-2-4-6-14/h2-11,13,18H,12H2,1H3,(H2,23,27)(H,24,25,26)
InChIKeyXWRRGLKSBBKFNB-UHFFFAOYSA-N
XLogP3.93
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide 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 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide?
The IUPAC name of 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide (CID 134138534) is 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide.
What is the SMILES notation for 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide?
The canonical SMILES for 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide is COc1ccc(-c2cc3c(NC(CC(N)=O)c4ccccc4)ncnc3o2)cc1.
What is the InChIKey of 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide?
The InChIKey is XWRRGLKSBBKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-16-9-7-15(8-10-16)19-11-17-21(24-13-25-22(17)29-19)26-18(12-20(23)27)14-5-3-2-4-6-14/h2-11,13,18H,12H2,1H3,(H2,23,27)(H,24,25,26).
What are the key properties of 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide?
3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide has a molecular weight of 388.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropanamide is sourced from PubChem (CID 134138534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).