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

C15H16ClN5O — CID 24826357

IUPAC4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNC[C@H]1CCCN1c1nc(N)nc2c1oc1ccc(Cl)cc12
InChIInChI=1S/C15H16ClN5O/c16-8-3-4-11-10(6-8)12-13(22-11)14(20-15(18)19-12)21-5-1-2-9(21)7-17/h3-4,6,9H,1-2,5,7,17H2,(H2,18,19,20)/t9-/m1/s1
InChIKeyFHXBYSFHNCEUDA-SECBINFHSA-N
MW317.78 g/mol
LogP2.54
Rot. Bonds2

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

4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24826357) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24826357
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNC[C@H]1CCCN1c1nc(N)nc2c1oc1ccc(Cl)cc12
InChIInChI=1S/C15H16ClN5O/c16-8-3-4-11-10(6-8)12-13(22-11)14(20-15(18)19-12)21-5-1-2-9(21)7-17/h3-4,6,9H,1-2,5,7,17H2,(H2,18,19,20)/t9-/m1/s1
InChIKeyFHXBYSFHNCEUDA-SECBINFHSA-N
XLogP2.54
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24826357) is 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is NC[C@H]1CCCN1c1nc(N)nc2c1oc1ccc(Cl)cc12.
What is the InChIKey of 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is FHXBYSFHNCEUDA-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-8-3-4-11-10(6-8)12-13(22-11)14(20-15(18)19-12)21-5-1-2-9(21)7-17/h3-4,6,9H,1-2,5,7,17H2,(H2,18,19,20)/t9-/m1/s1.
What are the key properties of 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 317.78 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24826357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).