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

C10H18Cl2N4 — CID 86263343

IUPACN,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
SMILESCCN(CC)c1ncc2c(n1)CNC2.Cl.Cl
InChIInChI=1S/C10H16N4.2ClH/c1-3-14(4-2)10-12-6-8-5-11-7-9(8)13-10;;/h6,11H,3-5,7H2,1-2H3;2*1H
InChIKeyIUBFYIPTQNMNHO-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.77
Rot. Bonds3

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

N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride (PubChem CID 86263343) has the molecular formula C10H18Cl2N4 and a molecular weight of 265.19 g/mol. Its IUPAC name is N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
PubChem CID86263343
Molecular FormulaC10H18Cl2N4
Molecular Weight265.19 g/mol
Exact Mass264.09
IUPAC NameN,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
SMILESCCN(CC)c1ncc2c(n1)CNC2.Cl.Cl
InChIInChI=1S/C10H16N4.2ClH/c1-3-14(4-2)10-12-6-8-5-11-7-9(8)13-10;;/h6,11H,3-5,7H2,1-2H3;2*1H
InChIKeyIUBFYIPTQNMNHO-UHFFFAOYSA-N
XLogP1.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
The IUPAC name of N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride (CID 86263343) is N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride is CCN(CC)c1ncc2c(n1)CNC2.Cl.Cl.
What is the InChIKey of N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
The InChIKey is IUBFYIPTQNMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.2ClH/c1-3-14(4-2)10-12-6-8-5-11-7-9(8)13-10;;/h6,11H,3-5,7H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride has a molecular weight of 265.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 86263343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).