2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one

C9H12N4O — CID 166470261

IUPAC2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1ccc2c(=O)n(C)c(N)nc21
InChIInChI=1S/C9H12N4O/c1-3-13-5-4-6-7(13)11-9(10)12(2)8(6)14/h4-5H,3H2,1-2H3,(H2,10,11)
InChIKeyBXUDPNAOBINHAM-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.34
Rot. Bonds1

About 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one

2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 166470261) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID166470261
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1ccc2c(=O)n(C)c(N)nc21
InChIInChI=1S/C9H12N4O/c1-3-13-5-4-6-7(13)11-9(10)12(2)8(6)14/h4-5H,3H2,1-2H3,(H2,10,11)
InChIKeyBXUDPNAOBINHAM-UHFFFAOYSA-N
XLogP0.34
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one (CID 166470261) is 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one is CCn1ccc2c(=O)n(C)c(N)nc21.
What is the InChIKey of 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is BXUDPNAOBINHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-13-5-4-6-7(13)11-9(10)12(2)8(6)14/h4-5H,3H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one?
2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).