2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide

C13H19N5O — CID 61467945

IUPAC2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C13H19N5O/c1-6-7(2)18(8(3)13(19)15-5)12-10(6)11(14)16-9(4)17-12/h8H,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyYZGSEWTUHGFNAV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.25
Rot. Bonds2

About 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide

2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide (PubChem CID 61467945) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide
PubChem CID61467945
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C13H19N5O/c1-6-7(2)18(8(3)13(19)15-5)12-10(6)11(14)16-9(4)17-12/h8H,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyYZGSEWTUHGFNAV-UHFFFAOYSA-N
XLogP1.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide?
The IUPAC name of 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide (CID 61467945) is 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide?
The canonical SMILES for 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide is CNC(=O)C(C)n1c(C)c(C)c2c(N)nc(C)nc21.
What is the InChIKey of 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide?
The InChIKey is YZGSEWTUHGFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-6-7(2)18(8(3)13(19)15-5)12-10(6)11(14)16-9(4)17-12/h8H,1-5H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide?
2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide has a molecular weight of 261.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylpropanamide is sourced from PubChem (CID 61467945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).