N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide

C19H16N4O2 — CID 155947499

IUPACN-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-12(24)20-10-13-6-8-14(9-7-13)23-19-18-17(21-11-22-19)15-4-2-3-5-16(15)25-18/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyBHQQTYVMSLJFJY-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.76
Rot. Bonds4

About N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide

N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide (PubChem CID 155947499) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
PubChem CID155947499
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-12(24)20-10-13-6-8-14(9-7-13)23-19-18-17(21-11-22-19)15-4-2-3-5-16(15)25-18/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyBHQQTYVMSLJFJY-UHFFFAOYSA-N
XLogP3.76
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol;hydrochloride
CID 24761188
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
CID 133279534
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide
CID 17393415
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 60506387
N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 31054972
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824
4-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]benzonitrile
CID 91641638
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
CID 133303979
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 133330317
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850

Frequently Asked Questions

What is the IUPAC name of N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide (CID 155947499) is N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide is CC(=O)NCc1ccc(Nc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
The InChIKey is BHQQTYVMSLJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12(24)20-10-13-6-8-14(9-7-13)23-19-18-17(21-11-22-19)15-4-2-3-5-16(15)25-18/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 155947499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).