N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C15H18ClN3O — CID 16682334

IUPACN-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCC(C)Nc1nc(C)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14;/h5-9H,4H2,1-3H3,(H,16,17,18);1H
InChIKeyIHNNJPIUALHVHW-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.32
Rot. Bonds3

About N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 16682334) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID16682334
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCC(C)Nc1nc(C)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14;/h5-9H,4H2,1-3H3,(H,16,17,18);1H
InChIKeyIHNNJPIUALHVHW-UHFFFAOYSA-N
XLogP4.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 16682334) is N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCC(C)Nc1nc(C)nc2c1oc1ccccc12.Cl.
What is the InChIKey of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is IHNNJPIUALHVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14;/h5-9H,4H2,1-3H3,(H,16,17,18);1H.
What are the key properties of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 16682334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).