4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine

C11H10ClN3O — CID 134823810

IUPAC4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2ccn([C@H]3CC=CO3)c2n1
InChIInChI=1S/C11H10ClN3O/c1-7-13-10(12)8-4-5-15(11(8)14-7)9-3-2-6-16-9/h2,4-6,9H,3H2,1H3/t9-/m1/s1
InChIKeySQPOOBBHDSDKRG-SECBINFHSA-N
MW235.67 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine

4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 134823810) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine
PubChem CID134823810
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2ccn([C@H]3CC=CO3)c2n1
InChIInChI=1S/C11H10ClN3O/c1-7-13-10(12)8-4-5-15(11(8)14-7)9-3-2-6-16-9/h2,4-6,9H,3H2,1H3/t9-/m1/s1
InChIKeySQPOOBBHDSDKRG-SECBINFHSA-N
XLogP2.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine (CID 134823810) is 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine is Cc1nc(Cl)c2ccn([C@H]3CC=CO3)c2n1.
What is the InChIKey of 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is SQPOOBBHDSDKRG-SECBINFHSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-13-10(12)8-4-5-15(11(8)14-7)9-3-2-6-16-9/h2,4-6,9H,3H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 235.67 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 134823810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).