(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate

C19H14N3O3- — CID 6949779

IUPAC(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
SMILESO=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C19H15N3O3/c23-19(24)14(10-12-6-2-1-3-7-12)22-18-17-16(20-11-21-18)13-8-4-5-9-15(13)25-17/h1-9,11,14H,10H2,(H,23,24)(H,20,21,22)/p-1/t14-/m1/s1
InChIKeyAJRLFWZZRHSNQZ-CQSZACIVSA-M
MW332.34 g/mol
LogP2.15
Rot. Bonds5

About (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate (PubChem CID 6949779) has the molecular formula C19H14N3O3- and a molecular weight of 332.34 g/mol. Its IUPAC name is (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
PubChem CID6949779
Molecular FormulaC19H14N3O3-
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
SMILESO=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C19H15N3O3/c23-19(24)14(10-12-6-2-1-3-7-12)22-18-17-16(20-11-21-18)13-8-4-5-9-15(13)25-17/h1-9,11,14H,10H2,(H,23,24)(H,20,21,22)/p-1/t14-/m1/s1
InChIKeyAJRLFWZZRHSNQZ-CQSZACIVSA-M
XLogP2.15
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate with MolForge

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Related Compounds

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-(1H-indol-3-yl)propanoate
CID 6965328
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 133474377
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
CID 133279534
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824
methyl 2-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3-(4-hydroxyphenyl)propanoate
CID 133312850
ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
CID 133406905
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
CID 133445052
N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 138043444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate?
The IUPAC name of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate (CID 6949779) is (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate?
The canonical SMILES for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate is O=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate?
The InChIKey is AJRLFWZZRHSNQZ-CQSZACIVSA-M. The full InChI is InChI=1S/C19H15N3O3/c23-19(24)14(10-12-6-2-1-3-7-12)22-18-17-16(20-11-21-18)13-8-4-5-9-15(13)25-17/h1-9,11,14H,10H2,(H,23,24)(H,20,21,22)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate?
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate has a molecular weight of 332.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate is sourced from PubChem (CID 6949779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).