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

C10H13FN4O — CID 163830235

IUPAC2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)Cn1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H13FN4O/c1-5(2)3-15-4-6(11)7-8(15)13-10(12)14-9(7)16/h4-5H,3H2,1-2H3,(H3,12,13,14,16)
InChIKeyODBINLZYGGRORI-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.10
Rot. Bonds2

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

2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 163830235) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID163830235
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)Cn1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H13FN4O/c1-5(2)3-15-4-6(11)7-8(15)13-10(12)14-9(7)16/h4-5H,3H2,1-2H3,(H3,12,13,14,16)
InChIKeyODBINLZYGGRORI-UHFFFAOYSA-N
XLogP1.10
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.10
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-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 163830235) is 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is CC(C)Cn1cc(F)c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ODBINLZYGGRORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-5(2)3-15-4-6(11)7-8(15)13-10(12)14-9(7)16/h4-5H,3H2,1-2H3,(H3,12,13,14,16).
What are the key properties of 2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 224.24 g/mol, XLogP of 1.10, 2 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-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163830235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).