2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C13H13N3O — CID 99987933

IUPAC2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCCc1nc(N)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-2-5-10-15-11-8-6-3-4-7-9(8)17-12(11)13(14)16-10/h3-4,6-7H,2,5H2,1H3,(H2,14,15,16)
InChIKeyGUGFXAFIKBGHCY-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.91
Rot. Bonds2

About 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 99987933) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID99987933
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCCc1nc(N)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-2-5-10-15-11-8-6-3-4-7-9(8)17-12(11)13(14)16-10/h3-4,6-7H,2,5H2,1H3,(H2,14,15,16)
InChIKeyGUGFXAFIKBGHCY-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987929
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 171560459
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
CID 135958604
N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603427
4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
CID 166124722
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
CID 44663518
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273

Frequently Asked Questions

What is the IUPAC name of 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 99987933) is 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCCc1nc(N)c2oc3ccccc3c2n1.
What is the InChIKey of 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is GUGFXAFIKBGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-5-10-15-11-8-6-3-4-7-9(8)17-12(11)13(14)16-10/h3-4,6-7H,2,5H2,1H3,(H2,14,15,16).
What are the key properties of 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 99987933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).