5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C7H8N4 — CID 5357765

IUPAC5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H8N4/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyZEWNAJJTKKUMEK-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.85
Rot. Bonds

About 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 5357765) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID5357765
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H8N4/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyZEWNAJJTKKUMEK-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 5357765) is 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c[nH]c2ncnc(N)c12.
What is the InChIKey of 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZEWNAJJTKKUMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H3,8,9,10,11).
What are the key properties of 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 148.17 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5357765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).