(2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone

C11H12ClN5O — CID 143377546

IUPAC(2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)n1cnc2cnc(Cl)nc21
InChIInChI=1S/C11H12ClN5O/c1-16-4-2-3-8(16)10(18)17-6-14-7-5-13-11(12)15-9(7)17/h5-6,8H,2-4H2,1H3
InChIKeyKHZXKNYPMBUXPB-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.21
Rot. Bonds1

About (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone

(2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 143377546) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone
PubChem CID143377546
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name(2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)n1cnc2cnc(Cl)nc21
InChIInChI=1S/C11H12ClN5O/c1-16-4-2-3-8(16)10(18)17-6-14-7-5-13-11(12)15-9(7)17/h5-6,8H,2-4H2,1H3
InChIKeyKHZXKNYPMBUXPB-UHFFFAOYSA-N
XLogP1.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone (CID 143377546) is (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)n1cnc2cnc(Cl)nc21.
What is the InChIKey of (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is KHZXKNYPMBUXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-16-4-2-3-8(16)10(18)17-6-14-7-5-13-11(12)15-9(7)17/h5-6,8H,2-4H2,1H3.
What are the key properties of (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone?
(2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 265.70 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropurin-9-yl)-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 143377546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).