4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)

C33H28N12O2Y4-4 — CID 157158796

IUPAC4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)
SMILESC=C(C)c1ncnc2[n-]ccc12.CC(=O)c1ncnc2[n-]ccc12.CCC(=O)c1ncnc2[n-]ccc12.Cc1ncnc2[n-]ccc12.[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H9N3O.C9H8N3.C8H7N3O.C7H6N3.4Y/c1-2-7(13)8-6-3-4-10-9(6)12-5-11-8;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-5(12)7-6-2-3-9-8(6)11-4-10-7;1-5-6-2-3-8-7(6)10-4-9-5;;;;/h3-5H,2H2,1H3,(H,10,11,12,13);3-5H,1H2,2H3;2-4H,1H3,(H,9,10,11,12);2-4H,1H3;;;;/q;-1;;-1;;;;/p-2
InChIKeyABOPPSWNFQAOAB-UHFFFAOYSA-L
MW980.29 g/mol
LogP4.47
Rot. Bonds4

About 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)

4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium) (PubChem CID 157158796) has the molecular formula C33H28N12O2Y4-4 and a molecular weight of 980.29 g/mol. Its IUPAC name is 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium).

Molecular Properties

Compound Name4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)
PubChem CID157158796
Molecular FormulaC33H28N12O2Y4-4
Molecular Weight980.29 g/mol
Exact Mass979.87
IUPAC Name4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)
SMILESC=C(C)c1ncnc2[n-]ccc12.CC(=O)c1ncnc2[n-]ccc12.CCC(=O)c1ncnc2[n-]ccc12.Cc1ncnc2[n-]ccc12.[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H9N3O.C9H8N3.C8H7N3O.C7H6N3.4Y/c1-2-7(13)8-6-3-4-10-9(6)12-5-11-8;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-5(12)7-6-2-3-9-8(6)11-4-10-7;1-5-6-2-3-8-7(6)10-4-9-5;;;;/h3-5H,2H2,1H3,(H,10,11,12,13);3-5H,1H2,2H3;2-4H,1H3,(H,9,10,11,12);2-4H,1H3;;;;/q;-1;;-1;;;;/p-2
InChIKeyABOPPSWNFQAOAB-UHFFFAOYSA-L
XLogP4.47
TPSA193.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500980.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)?
The IUPAC name of 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium) (CID 157158796) is 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium).
What is the SMILES notation for 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)?
The canonical SMILES for 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium) is C=C(C)c1ncnc2[n-]ccc12.CC(=O)c1ncnc2[n-]ccc12.CCC(=O)c1ncnc2[n-]ccc12.Cc1ncnc2[n-]ccc12.[Y].[Y].[Y].[Y].
What is the InChIKey of 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)?
The InChIKey is ABOPPSWNFQAOAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H9N3O.C9H8N3.C8H7N3O.C7H6N3.4Y/c1-2-7(13)8-6-3-4-10-9(6)12-5-11-8;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-5(12)7-6-2-3-9-8(6)11-4-10-7;1-5-6-2-3-8-7(6)10-4-9-5;;;;/h3-5H,2H2,1H3,(H,10,11,12,13);3-5H,1H2,2H3;2-4H,1H3,(H,9,10,11,12);2-4H,1H3;;;;/q;-1;;-1;;;;/p-2.
What are the key properties of 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium)?
4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium) has a molecular weight of 980.29 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolo[2,3-d]pyrimidin-7-ide;4-prop-1-en-2-ylpyrrolo[2,3-d]pyrimidin-7-ide;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylethanone;1-pyrrolo[2,3-d]pyrimidin-7-id-4-ylpropan-1-one;tetrakis(yttrium) is sourced from PubChem (CID 157158796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).