2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C10H15N3S — CID 130725678

IUPAC2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CN2CCC2)nc(=S)c1C
InChIInChI=1S/C10H15N3S/c1-7-8(2)11-9(12-10(7)14)6-13-4-3-5-13/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyMZTBJADLHPYYDK-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.96
Rot. Bonds2

About 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 130725678) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID130725678
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CN2CCC2)nc(=S)c1C
InChIInChI=1S/C10H15N3S/c1-7-8(2)11-9(12-10(7)14)6-13-4-3-5-13/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyMZTBJADLHPYYDK-UHFFFAOYSA-N
XLogP1.96
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476684
2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476703
2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476734
2-[(dimethylamino)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478242

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 130725678) is 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(CN2CCC2)nc(=S)c1C.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is MZTBJADLHPYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-8(2)11-9(12-10(7)14)6-13-4-3-5-13/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 130725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).