2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine

C15H16N2O — CID 170017001

IUPAC2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCCc1nc(C(C)C)c2oc3ccccc3c2n1
InChIInChI=1S/C15H16N2O/c1-4-12-16-13(9(2)3)15-14(17-12)10-7-5-6-8-11(10)18-15/h5-9H,4H2,1-3H3
InChIKeyJLOOVYPNKQEEPH-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.06
Rot. Bonds2

About 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine

2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170017001) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170017001
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCCc1nc(C(C)C)c2oc3ccccc3c2n1
InChIInChI=1S/C15H16N2O/c1-4-12-16-13(9(2)3)15-14(17-12)10-7-5-6-8-11(10)18-15/h5-9H,4H2,1-3H3
InChIKeyJLOOVYPNKQEEPH-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 4919819
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
4-(2,6-dimethylmorpholin-4-ium-4-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine
CID 4872156
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol;hydrochloride
CID 24761132
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
CID 44663518
cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4916684
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987933

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine (CID 170017001) is 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine is CCc1nc(C(C)C)c2oc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is JLOOVYPNKQEEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-12-16-13(9(2)3)15-14(17-12)10-7-5-6-8-11(10)18-15/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 240.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).