N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C19H18ClN3O2 — CID 16682474

IUPACN-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-23-12-11-20-19-17-16(14-9-5-6-10-15(14)24-17)21-18(22-19)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3,(H,20,21,22);1H
InChIKeyKXJCJJBFXMGAFU-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.52
Rot. Bonds5

About N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 16682474) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID16682474
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-23-12-11-20-19-17-16(14-9-5-6-10-15(14)24-17)21-18(22-19)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3,(H,20,21,22);1H
InChIKeyKXJCJJBFXMGAFU-UHFFFAOYSA-N
XLogP4.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 16682474) is N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is COCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12.Cl.
What is the InChIKey of N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is KXJCJJBFXMGAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.ClH/c1-23-12-11-20-19-17-16(14-9-5-6-10-15(14)24-17)21-18(22-19)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3,(H,20,21,22);1H.
What are the key properties of N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 16682474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).