4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine

C8H10N4 — CID 82375483

IUPAC4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
SMILESCc1ncnc2c1c(N)cn2C
InChIInChI=1S/C8H10N4/c1-5-7-6(9)3-12(2)8(7)11-4-10-5/h3-4H,9H2,1-2H3
InChIKeyMSKVOZIIPPNXMK-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.86
Rot. Bonds

About 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine

4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine (PubChem CID 82375483) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
PubChem CID82375483
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
SMILESCc1ncnc2c1c(N)cn2C
InChIInChI=1S/C8H10N4/c1-5-7-6(9)3-12(2)8(7)11-4-10-5/h3-4H,9H2,1-2H3
InChIKeyMSKVOZIIPPNXMK-UHFFFAOYSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine?
The IUPAC name of 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine (CID 82375483) is 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine is Cc1ncnc2c1c(N)cn2C.
What is the InChIKey of 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine?
The InChIKey is MSKVOZIIPPNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-7-6(9)3-12(2)8(7)11-4-10-5/h3-4H,9H2,1-2H3.
What are the key properties of 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine?
4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine has a molecular weight of 162.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 82375483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).