2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C18H15N3O — CID 1414940

IUPAC2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)21-18-17-16(19-12(2)20-18)14-5-3-4-6-15(14)22-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyVSAZGGQQQWKUPI-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.74
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1414940) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1414940
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)21-18-17-16(19-12(2)20-18)14-5-3-4-6-15(14)22-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyVSAZGGQQQWKUPI-UHFFFAOYSA-N
XLogP4.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 664279
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
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
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
4-[(4-Fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 3458131
4-[(3-Fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine
CID 3622707
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1414940) is 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is VSAZGGQQQWKUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)21-18-17-16(19-12(2)20-18)14-5-3-4-6-15(14)22-17/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1414940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).