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

C7H8N4O — CID 135433723

IUPAC2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1ccc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H8N4O/c1-11-3-2-4-5(11)9-7(8)10-6(4)12/h2-3H,1H3,(H3,8,9,10,12)
InChIKeyZPCBWFNVTDNYTB-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.16
Rot. Bonds

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

2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135433723) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135433723
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1ccc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H8N4O/c1-11-3-2-4-5(11)9-7(8)10-6(4)12/h2-3H,1H3,(H3,8,9,10,12)
InChIKeyZPCBWFNVTDNYTB-UHFFFAOYSA-N
XLogP-0.16
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135433723) is 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cn1ccc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ZPCBWFNVTDNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-11-3-2-4-5(11)9-7(8)10-6(4)12/h2-3H,1H3,(H3,8,9,10,12).
What are the key properties of 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 164.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135433723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).