[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine

C15H15ClN4O — CID 69107873

IUPAC[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN(c2ncnc3c2oc2cc(Cl)ccc23)C1
InChIInChI=1S/C15H15ClN4O/c16-10-1-2-11-12(5-10)21-14-13(11)18-8-19-15(14)20-4-3-9(6-17)7-20/h1-2,5,8-9H,3-4,6-7,17H2/t9-/m1/s1
InChIKeyOMLKIIGMPFQBSG-SECBINFHSA-N
MW302.76 g/mol
LogP2.81
Rot. Bonds2

About [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine

[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 69107873) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID69107873
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN(c2ncnc3c2oc2cc(Cl)ccc23)C1
InChIInChI=1S/C15H15ClN4O/c16-10-1-2-11-12(5-10)21-14-13(11)18-8-19-15(14)20-4-3-9(6-17)7-20/h1-2,5,8-9H,3-4,6-7,17H2/t9-/m1/s1
InChIKeyOMLKIIGMPFQBSG-SECBINFHSA-N
XLogP2.81
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 69107873) is [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine is NC[C@H]1CCN(c2ncnc3c2oc2cc(Cl)ccc23)C1.
What is the InChIKey of [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is OMLKIIGMPFQBSG-SECBINFHSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-10-1-2-11-12(5-10)21-14-13(11)18-8-19-15(14)20-4-3-9(6-17)7-20/h1-2,5,8-9H,3-4,6-7,17H2/t9-/m1/s1.
What are the key properties of [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 302.76 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 69107873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).