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

C8H10N4O — CID 135433729

IUPAC2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cn(C)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C8H10N4O/c1-4-3-12(2)6-5(4)7(13)11-8(9)10-6/h3H,1-2H3,(H3,9,10,11,13)
InChIKeyPUXCXVAYUSPONY-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.15
Rot. Bonds

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

2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135433729) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135433729
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cn(C)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C8H10N4O/c1-4-3-12(2)6-5(4)7(13)11-8(9)10-6/h3H,1-2H3,(H3,9,10,11,13)
InChIKeyPUXCXVAYUSPONY-UHFFFAOYSA-N
XLogP0.15
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135433729) is 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1cn(C)c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is PUXCXVAYUSPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-3-12(2)6-5(4)7(13)11-8(9)10-6/h3H,1-2H3,(H3,9,10,11,13).
What are the key properties of 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135433729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).