4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

C11H10ClN3O — CID 86730988

IUPAC4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]c(C3=CCOCC3)cc12
InChIInChI=1S/C11H10ClN3O/c12-10-8-5-9(7-1-3-16-4-2-7)15-11(8)14-6-13-10/h1,5-6H,2-4H2,(H,13,14,15)
InChIKeyCDCCUUCKFTVVJQ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.41
Rot. Bonds1

About 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 86730988) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID86730988
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]c(C3=CCOCC3)cc12
InChIInChI=1S/C11H10ClN3O/c12-10-8-5-9(7-1-3-16-4-2-7)15-11(8)14-6-13-10/h1,5-6H,2-4H2,(H,13,14,15)
InChIKeyCDCCUUCKFTVVJQ-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 86730988) is 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is Clc1ncnc2[nH]c(C3=CCOCC3)cc12.
What is the InChIKey of 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CDCCUUCKFTVVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-8-5-9(7-1-3-16-4-2-7)15-11(8)14-6-13-10/h1,5-6H,2-4H2,(H,13,14,15).
What are the key properties of 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 235.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 86730988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).