4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H17N5O — CID 24737947

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1
InChIInChI=1S/C15H17N5O/c1-17-9-6-7-20(8-9)14-13-12(18-15(16)19-14)10-4-2-3-5-11(10)21-13/h2-5,9,17H,6-8H2,1H3,(H2,16,18,19)/t9-/m1/s1
InChIKeyQYMOACDHCJVSSP-SECBINFHSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds2

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24737947) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24737947
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1
InChIInChI=1S/C15H17N5O/c1-17-9-6-7-20(8-9)14-13-12(18-15(16)19-14)10-4-2-3-5-11(10)21-13/h2-5,9,17H,6-8H2,1H3,(H2,16,18,19)/t9-/m1/s1
InChIKeyQYMOACDHCJVSSP-SECBINFHSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24737947) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is QYMOACDHCJVSSP-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N5O/c1-17-9-6-7-20(8-9)14-13-12(18-15(16)19-14)10-4-2-3-5-11(10)21-13/h2-5,9,17H,6-8H2,1H3,(H2,16,18,19)/t9-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24737947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).