2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium

C8H7N2OSY- — CID 59061924

IUPAC2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium
SMILES[CH2-]c1cn2c(=O)c(C)cnc2s1.[Y]
InChIInChI=1S/C8H7N2OS.Y/c1-5-3-9-8-10(7(5)11)4-6(2)12-8;/h3-4H,2H2,1H3;/q-1;
InChIKeyMHFCSPQCEVKKIH-UHFFFAOYSA-N
MW268.13 g/mol
LogP1.24
Rot. Bonds

About 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium

2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium (PubChem CID 59061924) has the molecular formula C8H7N2OSY- and a molecular weight of 268.13 g/mol. Its IUPAC name is 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium.

Molecular Properties

Compound Name2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium
PubChem CID59061924
Molecular FormulaC8H7N2OSY-
Molecular Weight268.13 g/mol
Exact Mass267.93
IUPAC Name2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium
SMILES[CH2-]c1cn2c(=O)c(C)cnc2s1.[Y]
InChIInChI=1S/C8H7N2OS.Y/c1-5-3-9-8-10(7(5)11)4-6(2)12-8;/h3-4H,2H2,1H3;/q-1;
InChIKeyMHFCSPQCEVKKIH-UHFFFAOYSA-N
XLogP1.24
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 11367200
Methyl-5h-thiazolo[3,2-a]-pyrimidin-5-one
CID 102406333
2-Ethylsulfanyl-3,5-dimethylpyrimidin-4-one
CID 129744101
2-Ethylsulfanyl-1,5-dimethylpyrimidin-4-one
CID 129744216
N,2-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469275
N,2-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470282
3,5-Dimethyl-2-methylsulfanylpyrimidin-4-one
CID 13043056
6-Methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20772195
6-methyl-2-hydroxy-5H-thiazolo [3,2-a]pyrimidin-5-one
CID 22373682
2,8-Dimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one
CID 59283978
7-Deuterio-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60120700
2,3,6-Trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 145823459

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium?
The IUPAC name of 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium (CID 59061924) is 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium.
What is the SMILES notation for 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium?
The canonical SMILES for 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium is [CH2-]c1cn2c(=O)c(C)cnc2s1.[Y].
What is the InChIKey of 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium?
The InChIKey is MHFCSPQCEVKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2OS.Y/c1-5-3-9-8-10(7(5)11)4-6(2)12-8;/h3-4H,2H2,1H3;/q-1;.
What are the key properties of 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium?
2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium has a molecular weight of 268.13 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium is sourced from PubChem (CID 59061924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).