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

C17H12FN3O — CID 1400652

IUPACN-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2F)c2oc3ccccc3c2n1
InChIInChI=1S/C17H12FN3O/c1-10-19-15-11-6-2-5-9-14(11)22-16(15)17(20-10)21-13-8-4-3-7-12(13)18/h2-9H,1H3,(H,19,20,21)
InChIKeyLPEJBDXMSLZHBM-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.57
Rot. Bonds2

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

N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1400652) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1400652
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC NameN-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2F)c2oc3ccccc3c2n1
InChIInChI=1S/C17H12FN3O/c1-10-19-15-11-6-2-5-9-14(11)22-16(15)17(20-10)21-13-8-4-3-7-12(13)18/h2-9H,1H3,(H,19,20,21)
InChIKeyLPEJBDXMSLZHBM-UHFFFAOYSA-N
XLogP4.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
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 N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1400652) is N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(Nc2ccccc2F)c2oc3ccccc3c2n1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is LPEJBDXMSLZHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-10-19-15-11-6-2-5-9-14(11)22-16(15)17(20-10)21-13-8-4-3-7-12(13)18/h2-9H,1H3,(H,19,20,21).
What are the key properties of N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 293.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1400652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).