2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione

C10H14N2OS — CID 106475684

IUPAC2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C)[nH]2)CCC1
InChIInChI=1S/C10H14N2OS/c1-7-6-8(14)12-9(11-7)10(13-2)4-3-5-10/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyVYMWJQUPIMFXAN-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.47
Rot. Bonds2

About 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione

2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475684) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475684
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C)[nH]2)CCC1
InChIInChI=1S/C10H14N2OS/c1-7-6-8(14)12-9(11-7)10(13-2)4-3-5-10/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyVYMWJQUPIMFXAN-UHFFFAOYSA-N
XLogP2.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175
2-(1-methoxycyclobutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475429
2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475574
2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475601
2-(2-ethoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475603
2-(3-methoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475604
2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475619
2-(1-methoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475657
2-(3-ethoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475683
2-(2-ethoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475688
2-(2-methoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475689
2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475690

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475684) is 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione is COC1(c2nc(=S)cc(C)[nH]2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is VYMWJQUPIMFXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-6-8(14)12-9(11-7)10(13-2)4-3-5-10/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).