2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C9H14N4 — CID 105437719

IUPAC2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc2c(c(NC)n1)CNC2
InChIInChI=1S/C9H14N4/c1-3-8-12-7-5-11-4-6(7)9(10-2)13-8/h11H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyAFXSAKGHYKSERX-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.68
Rot. Bonds2

About 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 105437719) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID105437719
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc2c(c(NC)n1)CNC2
InChIInChI=1S/C9H14N4/c1-3-8-12-7-5-11-4-6(7)9(10-2)13-8/h11H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyAFXSAKGHYKSERX-UHFFFAOYSA-N
XLogP0.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 105437719) is 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CCc1nc2c(c(NC)n1)CNC2.
What is the InChIKey of 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AFXSAKGHYKSERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-8-12-7-5-11-4-6(7)9(10-2)13-8/h11H,3-5H2,1-2H3,(H,10,12,13).
What are the key properties of 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105437719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).