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

C17H11FN4O — CID 9300130

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESFc1ccccc1/C=N\Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H11FN4O/c18-13-7-3-1-5-11(13)9-21-22-17-16-15(19-10-20-17)12-6-2-4-8-14(12)23-16/h1-10H,(H,19,20,22)/b21-9-
InChIKeyBNUSNXZJWNZAAY-NKVSQWTQSA-N
MW306.30 g/mol
LogP3.96
Rot. Bonds3

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

N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 9300130) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID9300130
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESFc1ccccc1/C=N\Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H11FN4O/c18-13-7-3-1-5-11(13)9-21-22-17-16-15(19-10-20-17)12-6-2-4-8-14(12)23-16/h1-10H,(H,19,20,22)/b21-9-
InChIKeyBNUSNXZJWNZAAY-NKVSQWTQSA-N
XLogP3.96
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-4,6-dibromophenol
CID 135684918
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9299932
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300369
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300302
N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9397520
4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 135800451
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300235
N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023405
N-[(4-methylcyclohexylidene)amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023366
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023507
N-[(3-fluoro-4-methylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 134032116

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 9300130) is N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is Fc1ccccc1/C=N\Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is BNUSNXZJWNZAAY-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-7-3-1-5-11(13)9-21-22-17-16-15(19-10-20-17)12-6-2-4-8-14(12)23-16/h1-10H,(H,19,20,22)/b21-9-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 306.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 9300130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).