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

C7H8N4 — CID 158526538

IUPAC7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC1=NCc2c(N)ncnc21
InChIInChI=1S/C7H8N4/c1-4-6-5(2-9-4)7(8)11-3-10-6/h3H,2H2,1H3,(H2,8,10,11)
InChIKeyLBPOGMYQWDMBNC-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.38
Rot. Bonds

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

7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 158526538) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID158526538
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC1=NCc2c(N)ncnc21
InChIInChI=1S/C7H8N4/c1-4-6-5(2-9-4)7(8)11-3-10-6/h3H,2H2,1H3,(H2,8,10,11)
InChIKeyLBPOGMYQWDMBNC-UHFFFAOYSA-N
XLogP0.38
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 158526538) is 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CC1=NCc2c(N)ncnc21.
What is the InChIKey of 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LBPOGMYQWDMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-4-6-5(2-9-4)7(8)11-3-10-6/h3H,2H2,1H3,(H2,8,10,11).
What are the key properties of 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 148.17 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158526538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).