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

C13H14ClN3O — CID 6603427

IUPACN-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCNc1nc(C)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C13H13N3O.ClH/c1-3-14-13-12-11(15-8(2)16-13)9-6-4-5-7-10(9)17-12;/h4-7H,3H2,1-2H3,(H,14,15,16);1H
InChIKeyAQBKZLCVPCPOFK-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.54
Rot. Bonds2

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

N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6603427) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6603427
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCNc1nc(C)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C13H13N3O.ClH/c1-3-14-13-12-11(15-8(2)16-13)9-6-4-5-7-10(9)17-12;/h4-7H,3H2,1-2H3,(H,14,15,16);1H
InChIKeyAQBKZLCVPCPOFK-UHFFFAOYSA-N
XLogP3.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6603427) is N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCNc1nc(C)nc2c1oc1ccccc12.Cl.
What is the InChIKey of N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AQBKZLCVPCPOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.ClH/c1-3-14-13-12-11(15-8(2)16-13)9-6-4-5-7-10(9)17-12;/h4-7H,3H2,1-2H3,(H,14,15,16);1H.
What are the key properties of N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6603427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).