2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C14H19N7O — CID 56760028

IUPAC2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESNc1nc(NC2CC2)cc(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C14H19N7O/c15-14-18-12(17-10-1-2-10)5-13(19-14)20-7-9-6-16-21(3-4-22)11(9)8-20/h5-6,10,22H,1-4,7-8H2,(H3,15,17,18,19)
InChIKeyQCYRSNNYOORFBB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.34
Rot. Bonds5

About 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56760028) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56760028
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESNc1nc(NC2CC2)cc(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C14H19N7O/c15-14-18-12(17-10-1-2-10)5-13(19-14)20-7-9-6-16-21(3-4-22)11(9)8-20/h5-6,10,22H,1-4,7-8H2,(H3,15,17,18,19)
InChIKeyQCYRSNNYOORFBB-UHFFFAOYSA-N
XLogP0.34
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56760028) is 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is Nc1nc(NC2CC2)cc(N2Cc3cnn(CCO)c3C2)n1.
What is the InChIKey of 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is QCYRSNNYOORFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c15-14-18-12(17-10-1-2-10)5-13(19-14)20-7-9-6-16-21(3-4-22)11(9)8-20/h5-6,10,22H,1-4,7-8H2,(H3,15,17,18,19).
What are the key properties of 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 301.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56760028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).