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

C15H15ClN4O — CID 16656872

IUPAC(3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyFPSQDZNIPDQGKA-SNVBAGLBSA-N
MW302.76 g/mol
LogP2.83
Rot. Bonds2

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

(3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 16656872) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID16656872
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name(3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyFPSQDZNIPDQGKA-SNVBAGLBSA-N
XLogP2.83
TPSA54.19 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine (CID 16656872) is (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine is CN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1.
What is the InChIKey of (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is FPSQDZNIPDQGKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
(3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 302.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 16656872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).