N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

C22H20N4O3 — CID 53108053

IUPACN-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H20N4O3/c27-22(23-14-15-6-2-1-3-7-15)20-24-18-16-8-4-5-9-17(16)29-19(18)21(25-20)26-10-12-28-13-11-26/h1-9H,10-14H2,(H,23,27)
InChIKeySNAGCTVWSIATGY-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide (PubChem CID 53108053) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
PubChem CID53108053
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H20N4O3/c27-22(23-14-15-6-2-1-3-7-15)20-24-18-16-8-4-5-9-17(16)29-19(18)21(25-20)26-10-12-28-13-11-26/h1-9H,10-14H2,(H,23,27)
InChIKeySNAGCTVWSIATGY-UHFFFAOYSA-N
XLogP3.14
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide (CID 53108053) is N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide is O=C(NCc1ccccc1)c1nc(N2CCOCC2)c2oc3ccccc3c2n1.
What is the InChIKey of N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The InChIKey is SNAGCTVWSIATGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-22(23-14-15-6-2-1-3-7-15)20-24-18-16-8-4-5-9-17(16)29-19(18)21(25-20)26-10-12-28-13-11-26/h1-9H,10-14H2,(H,23,27).
What are the key properties of N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53108053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).