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

C8H12N4 — CID 67543338

IUPACN,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1ncc2c(n1)CNC2
InChIInChI=1S/C8H12N4/c1-12(2)8-10-4-6-3-9-5-7(6)11-8/h4,9H,3,5H2,1-2H3
InChIKeyHXIOKBYARWBBNF-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.15
Rot. Bonds1

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

N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 67543338) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID67543338
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1ncc2c(n1)CNC2
InChIInChI=1S/C8H12N4/c1-12(2)8-10-4-6-3-9-5-7(6)11-8/h4,9H,3,5H2,1-2H3
InChIKeyHXIOKBYARWBBNF-UHFFFAOYSA-N
XLogP0.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 67543338) is N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is CN(C)c1ncc2c(n1)CNC2.
What is the InChIKey of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is HXIOKBYARWBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-12(2)8-10-4-6-3-9-5-7(6)11-8/h4,9H,3,5H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 67543338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).