2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C11H13ClN4O — CID 137482872

IUPAC2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2cnc(Cl)nc2n1CC
InChIInChI=1S/C11H13ClN4O/c1-3-13-10(17)8-5-7-6-14-11(12)15-9(7)16(8)4-2/h5-6H,3-4H2,1-2H3,(H,13,17)
InChIKeyGCHYKSLLDRFKFX-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.85
Rot. Bonds3

About 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 137482872) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID137482872
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2cnc(Cl)nc2n1CC
InChIInChI=1S/C11H13ClN4O/c1-3-13-10(17)8-5-7-6-14-11(12)15-9(7)16(8)4-2/h5-6H,3-4H2,1-2H3,(H,13,17)
InChIKeyGCHYKSLLDRFKFX-UHFFFAOYSA-N
XLogP1.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 137482872) is 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2cnc(Cl)nc2n1CC.
What is the InChIKey of 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GCHYKSLLDRFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-13-10(17)8-5-7-6-14-11(12)15-9(7)16(8)4-2/h5-6H,3-4H2,1-2H3,(H,13,17).
What are the key properties of 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137482872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).