N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide

C11H15N5O — CID 110430172

IUPACN-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C11H15N5O/c1-7-5-9-10(13-4-3-12-8(2)17)14-6-15-11(9)16-7/h5-6H,3-4H2,1-2H3,(H,12,17)(H2,13,14,15,16)
InChIKeyCGPOGRYBLSCVBJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.81
Rot. Bonds4

About N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 110430172) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID110430172
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C11H15N5O/c1-7-5-9-10(13-4-3-12-8(2)17)14-6-15-11(9)16-7/h5-6H,3-4H2,1-2H3,(H,12,17)(H2,13,14,15,16)
InChIKeyCGPOGRYBLSCVBJ-UHFFFAOYSA-N
XLogP0.81
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide (CID 110430172) is N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ncnc2[nH]c(C)cc12.
What is the InChIKey of N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is CGPOGRYBLSCVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-5-9-10(13-4-3-12-8(2)17)14-6-15-11(9)16-7/h5-6H,3-4H2,1-2H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 110430172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).