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

C13H13N3O — CID 99987929

IUPAC2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-7(2)13-15-10-8-5-3-4-6-9(8)17-11(10)12(14)16-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyARFWUWUOATZRKT-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.08
Rot. Bonds1

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

2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 99987929) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID99987929
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-7(2)13-15-10-8-5-3-4-6-9(8)17-11(10)12(14)16-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyARFWUWUOATZRKT-UHFFFAOYSA-N
XLogP3.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987933
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
[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
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
2-(1-fluoroethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124715
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
ethane;11-methyl-[1]benzofuro[3,2-b]quinoline
CID 143798134
2-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135910016
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 99987929) is 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CC(C)c1nc(N)c2oc3ccccc3c2n1.
What is the InChIKey of 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is ARFWUWUOATZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-7(2)13-15-10-8-5-3-4-6-9(8)17-11(10)12(14)16-13/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 99987929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).