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

C14H16ClN3O — CID 6602793

IUPAC2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(NC(C)C)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-8(2)15-14-13-12(16-9(3)17-14)10-6-4-5-7-11(10)18-13;/h4-8H,1-3H3,(H,15,16,17);1H
InChIKeyPFLFWMOKLHDSJP-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.93
Rot. Bonds2

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

2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602793) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602793
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(NC(C)C)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-8(2)15-14-13-12(16-9(3)17-14)10-6-4-5-7-11(10)18-13;/h4-8H,1-3H3,(H,15,16,17);1H
InChIKeyPFLFWMOKLHDSJP-UHFFFAOYSA-N
XLogP3.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602793) is 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is Cc1nc(NC(C)C)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is PFLFWMOKLHDSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c1-8(2)15-14-13-12(16-9(3)17-14)10-6-4-5-7-11(10)18-13;/h4-8H,1-3H3,(H,15,16,17);1H.
What are the key properties of 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).