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

C14H16ClN3O — CID 6602800

IUPACN,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCNc1nc(CC)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-3-11-16-12-9-7-5-6-8-10(9)18-13(12)14(17-11)15-4-2;/h5-8H,3-4H2,1-2H3,(H,15,16,17);1H
InChIKeyMJDCOJFWWUMFPS-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.79
Rot. Bonds3

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

N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602800) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602800
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCNc1nc(CC)nc2c1oc1ccccc12.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-3-11-16-12-9-7-5-6-8-10(9)18-13(12)14(17-11)15-4-2;/h5-8H,3-4H2,1-2H3,(H,15,16,17);1H
InChIKeyMJDCOJFWWUMFPS-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602800) is N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCNc1nc(CC)nc2c1oc1ccccc12.Cl.
What is the InChIKey of N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is MJDCOJFWWUMFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c1-3-11-16-12-9-7-5-6-8-10(9)18-13(12)14(17-11)15-4-2;/h5-8H,3-4H2,1-2H3,(H,15,16,17);1H.
What are the key properties of N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).