4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H21N5O — CID 42603142

IUPAC4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCNC1(C)CN(c2nc(N)nc3c4c(oc23)CCCC4)C1
InChIInChI=1S/C15H21N5O/c1-15(17-2)7-20(8-15)13-12-11(18-14(16)19-13)9-5-3-4-6-10(9)21-12/h17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyBCDODEMBERFKFB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.48
Rot. Bonds2

About 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 42603142) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID42603142
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCNC1(C)CN(c2nc(N)nc3c4c(oc23)CCCC4)C1
InChIInChI=1S/C15H21N5O/c1-15(17-2)7-20(8-15)13-12-11(18-14(16)19-13)9-5-3-4-6-10(9)21-12/h17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyBCDODEMBERFKFB-UHFFFAOYSA-N
XLogP1.48
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 42603142) is 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine is CNC1(C)CN(c2nc(N)nc3c4c(oc23)CCCC4)C1.
What is the InChIKey of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is BCDODEMBERFKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(17-2)7-20(8-15)13-12-11(18-14(16)19-13)9-5-3-4-6-10(9)21-12/h17H,3-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 42603142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).