[2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium

C13H17N4O4Y- — CID 152868306

IUPAC[2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium
SMILESC=[C-]C(=O)OCC(C)CNC(=O)Nc1nc(C)cc(=O)[nH]1.[Y]
InChIInChI=1S/C13H17N4O4.Y/c1-4-11(19)21-7-8(2)6-14-13(20)17-12-15-9(3)5-10(18)16-12;/h5,8H,1,6-7H2,2-3H3,(H3,14,15,16,17,18,20);/q-1;
InChIKeyCFOKYIWZESKOIX-UHFFFAOYSA-N
MW382.21 g/mol
LogP0.37
Rot. Bonds6

About [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium

[2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium (PubChem CID 152868306) has the molecular formula C13H17N4O4Y- and a molecular weight of 382.21 g/mol. Its IUPAC name is [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium.

Molecular Properties

Compound Name[2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium
PubChem CID152868306
Molecular FormulaC13H17N4O4Y-
Molecular Weight382.21 g/mol
Exact Mass382.03
IUPAC Name[2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium
SMILESC=[C-]C(=O)OCC(C)CNC(=O)Nc1nc(C)cc(=O)[nH]1.[Y]
InChIInChI=1S/C13H17N4O4.Y/c1-4-11(19)21-7-8(2)6-14-13(20)17-12-15-9(3)5-10(18)16-12;/h5,8H,1,6-7H2,2-3H3,(H3,14,15,16,17,18,20);/q-1;
InChIKeyCFOKYIWZESKOIX-UHFFFAOYSA-N
XLogP0.37
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium?
The IUPAC name of [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium (CID 152868306) is [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium.
What is the SMILES notation for [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium?
The canonical SMILES for [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium is C=[C-]C(=O)OCC(C)CNC(=O)Nc1nc(C)cc(=O)[nH]1.[Y].
What is the InChIKey of [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium?
The InChIKey is CFOKYIWZESKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4O4.Y/c1-4-11(19)21-7-8(2)6-14-13(20)17-12-15-9(3)5-10(18)16-12;/h5,8H,1,6-7H2,2-3H3,(H3,14,15,16,17,18,20);/q-1;.
What are the key properties of [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium?
[2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium has a molecular weight of 382.21 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl] prop-2-enoate;yttrium is sourced from PubChem (CID 152868306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).