8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H17N5O — CID 24738896

IUPAC8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCNC1CN(c2nc(N)nc3c2oc2ccc(C)cc23)C1
InChIInChI=1S/C15H17N5O/c1-8-3-4-11-10(5-8)12-13(21-11)14(19-15(16)18-12)20-6-9(7-20)17-2/h3-5,9,17H,6-7H2,1-2H3,(H2,16,18,19)
InChIKeyNMHIBAPCLKNZIN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.67
Rot. Bonds2

About 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24738896) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24738896
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCNC1CN(c2nc(N)nc3c2oc2ccc(C)cc23)C1
InChIInChI=1S/C15H17N5O/c1-8-3-4-11-10(5-8)12-13(21-11)14(19-15(16)18-12)20-6-9(7-20)17-2/h3-5,9,17H,6-7H2,1-2H3,(H2,16,18,19)
InChIKeyNMHIBAPCLKNZIN-UHFFFAOYSA-N
XLogP1.67
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24738896) is 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CNC1CN(c2nc(N)nc3c2oc2ccc(C)cc23)C1.
What is the InChIKey of 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is NMHIBAPCLKNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-8-3-4-11-10(5-8)12-13(21-11)14(19-15(16)18-12)20-6-9(7-20)17-2/h3-5,9,17H,6-7H2,1-2H3,(H2,16,18,19).
What are the key properties of 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24738896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).