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

C19H16N4O2 — CID 644931

IUPACN-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-11-20-17-15-5-3-4-6-16(15)25-18(17)19(21-11)23-14-9-7-13(8-10-14)22-12(2)24/h3-10H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyZEYZBSFUGHQPJB-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.39
Rot. Bonds3

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

N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 644931) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID644931
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-11-20-17-15-5-3-4-6-16(15)25-18(17)19(21-11)23-14-9-7-13(8-10-14)22-12(2)24/h3-10H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyZEYZBSFUGHQPJB-UHFFFAOYSA-N
XLogP4.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzofurano[3,2-d]pyrimidine deriv. 77
CID 5328425
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine
CID 603361
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
4-(4-Methyl-1-piperazinyl)benzofuro[3,2-d]pyrimidine
CID 2306318
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide
CID 3452486

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 644931) is N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is ZEYZBSFUGHQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-20-17-15-5-3-4-6-16(15)25-18(17)19(21-11)23-14-9-7-13(8-10-14)22-12(2)24/h3-10H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 644931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).