carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium

C13H20N4OY-2 — CID 59244979

IUPACcarbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium
SMILES[CH2-]N1CCc2c(C)nc(N3CCOCC3)nc21.[CH3-].[Y]
InChIInChI=1S/C12H17N4O.CH3.Y/c1-9-10-3-4-15(2)11(10)14-12(13-9)16-5-7-17-8-6-16;;/h2-8H2,1H3;1H3;/q2*-1;
InChIKeyYAMDDUAMJKLKKS-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.22
Rot. Bonds1

About carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium

carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium (PubChem CID 59244979) has the molecular formula C13H20N4OY-2 and a molecular weight of 337.24 g/mol. Its IUPAC name is carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium.

Molecular Properties

Compound Namecarbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium
PubChem CID59244979
Molecular FormulaC13H20N4OY-2
Molecular Weight337.24 g/mol
Exact Mass337.07
IUPAC Namecarbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium
SMILES[CH2-]N1CCc2c(C)nc(N3CCOCC3)nc21.[CH3-].[Y]
InChIInChI=1S/C12H17N4O.CH3.Y/c1-9-10-3-4-15(2)11(10)14-12(13-9)16-5-7-17-8-6-16;;/h2-8H2,1H3;1H3;/q2*-1;
InChIKeyYAMDDUAMJKLKKS-UHFFFAOYSA-N
XLogP1.22
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium?
The IUPAC name of carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium (CID 59244979) is carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium.
What is the SMILES notation for carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium?
The canonical SMILES for carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium is [CH2-]N1CCc2c(C)nc(N3CCOCC3)nc21.[CH3-].[Y].
What is the InChIKey of carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium?
The InChIKey is YAMDDUAMJKLKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N4O.CH3.Y/c1-9-10-3-4-15(2)11(10)14-12(13-9)16-5-7-17-8-6-16;;/h2-8H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium?
carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium has a molecular weight of 337.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(7-methanidyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine;yttrium is sourced from PubChem (CID 59244979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).