2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C7H7FN4O — CID 137148925

IUPAC2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7FN4O/c1-12-2-3(8)4-5(12)10-7(9)11-6(4)13/h2H,1H3,(H3,9,10,11,13)
InChIKeyRYEGZKJUOYBZEW-UHFFFAOYSA-N
MW182.16 g/mol
LogP-0.02
Rot. Bonds

About 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137148925) has the molecular formula C7H7FN4O and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137148925
Molecular FormulaC7H7FN4O
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7FN4O/c1-12-2-3(8)4-5(12)10-7(9)11-6(4)13/h2H,1H3,(H3,9,10,11,13)
InChIKeyRYEGZKJUOYBZEW-UHFFFAOYSA-N
XLogP-0.02
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137148925) is 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cn1cc(F)c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RYEGZKJUOYBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O/c1-12-2-3(8)4-5(12)10-7(9)11-6(4)13/h2H,1H3,(H3,9,10,11,13).
What are the key properties of 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 182.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137148925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).