N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine

C13H22N4 — CID 114741377

IUPACN,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine
SMILESCC(C)c1nc(CCN(C)C)nc2c1CNC2
InChIInChI=1S/C13H22N4/c1-9(2)13-10-7-14-8-11(10)15-12(16-13)5-6-17(3)4/h9,14H,5-8H2,1-4H3
InChIKeyOQAFQSURQANQAV-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.31
Rot. Bonds4

About N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine

N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine (PubChem CID 114741377) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine
PubChem CID114741377
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine
SMILESCC(C)c1nc(CCN(C)C)nc2c1CNC2
InChIInChI=1S/C13H22N4/c1-9(2)13-10-7-14-8-11(10)15-12(16-13)5-6-17(3)4/h9,14H,5-8H2,1-4H3
InChIKeyOQAFQSURQANQAV-UHFFFAOYSA-N
XLogP1.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine (CID 114741377) is N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine is CC(C)c1nc(CCN(C)C)nc2c1CNC2.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine?
The InChIKey is OQAFQSURQANQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)13-10-7-14-8-11(10)15-12(16-13)5-6-17(3)4/h9,14H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine?
N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 114741377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).