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

C9H11FN4O — CID 137148891

IUPAC2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C9H11FN4O/c1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15/h3-4H,1-2H3,(H3,11,12,13,15)
InChIKeyJOOAOIQDXBUEGW-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.03
Rot. Bonds1

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

2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137148891) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137148891
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C9H11FN4O/c1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15/h3-4H,1-2H3,(H3,11,12,13,15)
InChIKeyJOOAOIQDXBUEGW-UHFFFAOYSA-N
XLogP1.03
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.03
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-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137148891) is 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JOOAOIQDXBUEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15/h3-4H,1-2H3,(H3,11,12,13,15).
What are the key properties of 2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 210.21 g/mol, XLogP of 1.03, 1 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-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137148891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).