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

C13H13N3O — CID 4678850

IUPACN-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C13H13N3O/c1-8(2)16-13-12-11(14-7-15-13)9-5-3-4-6-10(9)17-12/h3-8H,1-2H3,(H,14,15,16)
InChIKeyWTWRSRRAFLVAKC-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.20
Rot. Bonds2

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

N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 4678850) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID4678850
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C13H13N3O/c1-8(2)16-13-12-11(14-7-15-13)9-5-3-4-6-10(9)17-12/h3-8H,1-2H3,(H,14,15,16)
InChIKeyWTWRSRRAFLVAKC-UHFFFAOYSA-N
XLogP3.20
TPSA50.95 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 4678850) is N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CC(C)Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is WTWRSRRAFLVAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8(2)16-13-12-11(14-7-15-13)9-5-3-4-6-10(9)17-12/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 4678850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).