4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine

C8H12N4O — CID 145047591

IUPAC4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine
SMILESCNN1Cc2ncnc(OC)c2C1
InChIInChI=1S/C8H12N4O/c1-9-12-3-6-7(4-12)10-5-11-8(6)13-2/h5,9H,3-4H2,1-2H3
InChIKeyJXOZVUPWNHHDMW-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.06
Rot. Bonds2

About 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine

4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine (PubChem CID 145047591) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine
PubChem CID145047591
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine
SMILESCNN1Cc2ncnc(OC)c2C1
InChIInChI=1S/C8H12N4O/c1-9-12-3-6-7(4-12)10-5-11-8(6)13-2/h5,9H,3-4H2,1-2H3
InChIKeyJXOZVUPWNHHDMW-UHFFFAOYSA-N
XLogP-0.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine (CID 145047591) is 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine is CNN1Cc2ncnc(OC)c2C1.
What is the InChIKey of 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine?
The InChIKey is JXOZVUPWNHHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-9-12-3-6-7(4-12)10-5-11-8(6)13-2/h5,9H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine?
4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine has a molecular weight of 180.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 145047591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).