4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine

C14H14ClN5O — CID 24738269

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C14H14ClN5O/c15-7-1-2-10-9(5-7)11-12(21-10)13(19-14(17)18-11)20-4-3-8(16)6-20/h1-2,5,8H,3-4,6,16H2,(H2,17,18,19)/t8-/m1/s1
InChIKeyBIWBFVHEFLGFNR-MRVPVSSYSA-N
MW303.75 g/mol
LogP2.15
Rot. Bonds1

About 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24738269) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24738269
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C14H14ClN5O/c15-7-1-2-10-9(5-7)11-12(21-10)13(19-14(17)18-11)20-4-3-8(16)6-20/h1-2,5,8H,3-4,6,16H2,(H2,17,18,19)/t8-/m1/s1
InChIKeyBIWBFVHEFLGFNR-MRVPVSSYSA-N
XLogP2.15
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24738269) is 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is BIWBFVHEFLGFNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c15-7-1-2-10-9(5-7)11-12(21-10)13(19-14(17)18-11)20-4-3-8(16)6-20/h1-2,5,8H,3-4,6,16H2,(H2,17,18,19)/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 303.75 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24738269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).