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

C17H13Cl2N3O — CID 24747683

IUPACN-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(Nc2cccc(Cl)c2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H12ClN3O.ClH/c1-10-19-15-13-7-2-3-8-14(13)22-16(15)17(20-10)21-12-6-4-5-11(18)9-12;/h2-9H,1H3,(H,19,20,21);1H
InChIKeyOZBSIVQESYRPLW-UHFFFAOYSA-N
MW346.22 g/mol
LogP5.50
Rot. Bonds2

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

N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 24747683) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID24747683
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(Nc2cccc(Cl)c2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H12ClN3O.ClH/c1-10-19-15-13-7-2-3-8-14(13)22-16(15)17(20-10)21-12-6-4-5-11(18)9-12;/h2-9H,1H3,(H,19,20,21);1H
InChIKeyOZBSIVQESYRPLW-UHFFFAOYSA-N
XLogP5.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.22
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 24747683) is N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is Cc1nc(Nc2cccc(Cl)c2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is OZBSIVQESYRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O.ClH/c1-10-19-15-13-7-2-3-8-14(13)22-16(15)17(20-10)21-12-6-4-5-11(18)9-12;/h2-9H,1H3,(H,19,20,21);1H.
What are the key properties of N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 346.22 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 24747683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).