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

C18H20N4O — CID 9023405

IUPACN-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)oc1c(NN=C3CCCCCCC3)ncnc12
InChIInChI=1S/C18H20N4O/c1-2-4-8-13(9-5-3-1)21-22-18-17-16(19-12-20-18)14-10-6-7-11-15(14)23-17/h6-7,10-12H,1-5,8-9H2,(H,19,20,22)
InChIKeyBKBNRDGSJJMAJT-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.89
Rot. Bonds2

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

N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 9023405) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID9023405
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)oc1c(NN=C3CCCCCCC3)ncnc12
InChIInChI=1S/C18H20N4O/c1-2-4-8-13(9-5-3-1)21-22-18-17-16(19-12-20-18)14-10-6-7-11-15(14)23-17/h6-7,10-12H,1-5,8-9H2,(H,19,20,22)
InChIKeyBKBNRDGSJJMAJT-UHFFFAOYSA-N
XLogP4.89
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.89
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

N-[(4-methylcyclohexylidene)amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023366
N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023435
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300130
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9299932
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
2-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-4,6-dibromophenol
CID 135684918
N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023507
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 9023405) is N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc2c(c1)oc1c(NN=C3CCCCCCC3)ncnc12.
What is the InChIKey of N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is BKBNRDGSJJMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-4-8-13(9-5-3-1)21-22-18-17-16(19-12-20-18)14-10-6-7-11-15(14)23-17/h6-7,10-12H,1-5,8-9H2,(H,19,20,22).
What are the key properties of N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 308.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 9023405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).