(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate

C19H14N3O3- — CID 7177417

IUPAC(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate
SMILESC[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)[O-]
InChIInChI=1S/C19H15N3O3/c1-11(19(23)24)20-18-16-15(13-9-5-6-10-14(13)25-16)21-17(22-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,23,24)(H,20,21,22)/p-1/t11-/m1/s1
InChIKeyVPVMZMQLIYHSQH-LLVKDONJSA-M
MW332.34 g/mol
LogP2.59
Rot. Bonds4

About (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate

(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 7177417) has the molecular formula C19H14N3O3- and a molecular weight of 332.34 g/mol. Its IUPAC name is (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Name(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate
PubChem CID7177417
Molecular FormulaC19H14N3O3-
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate
SMILESC[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)[O-]
InChIInChI=1S/C19H15N3O3/c1-11(19(23)24)20-18-16-15(13-9-5-6-10-14(13)25-16)21-17(22-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,23,24)(H,20,21,22)/p-1/t11-/m1/s1
InChIKeyVPVMZMQLIYHSQH-LLVKDONJSA-M
XLogP2.59
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic acid
CID 2068766
N-(3-methylbutyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3769904
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546765
2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2005489
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate (CID 7177417) is (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate is C[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is VPVMZMQLIYHSQH-LLVKDONJSA-M. The full InChI is InChI=1S/C19H15N3O3/c1-11(19(23)24)20-18-16-15(13-9-5-6-10-14(13)25-16)21-17(22-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,23,24)(H,20,21,22)/p-1/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate?
(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 332.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 7177417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).