2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one

C23H22N4O3 — CID 133474377

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)Nc1ncnc2c1oc1ccccc12)N1CCOCC1
InChIInChI=1S/C23H22N4O3/c28-23(27-10-12-29-13-11-27)18(14-16-6-2-1-3-7-16)26-22-21-20(24-15-25-22)17-8-4-5-9-19(17)30-21/h1-9,15,18H,10-14H2,(H,24,25,26)
InChIKeyANYJEVUASHEPRL-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.26
Rot. Bonds5

About 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one

2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 133474377) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID133474377
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)Nc1ncnc2c1oc1ccccc12)N1CCOCC1
InChIInChI=1S/C23H22N4O3/c28-23(27-10-12-29-13-11-27)18(14-16-6-2-1-3-7-16)26-22-21-20(24-15-25-22)17-8-4-5-9-19(17)30-21/h1-9,15,18H,10-14H2,(H,24,25,26)
InChIKeyANYJEVUASHEPRL-UHFFFAOYSA-N
XLogP3.26
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one with MolForge

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Related Compounds

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-(1H-indol-3-yl)propanoate
CID 6965328
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 133474366
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
CID 133279534
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133293036
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one (CID 133474377) is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one is O=C(C(Cc1ccccc1)Nc1ncnc2c1oc1ccccc12)N1CCOCC1.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is ANYJEVUASHEPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-23(27-10-12-29-13-11-27)18(14-16-6-2-1-3-7-16)26-22-21-20(24-15-25-22)17-8-4-5-9-19(17)30-21/h1-9,15,18H,10-14H2,(H,24,25,26).
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one?
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 402.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 133474377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).