2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione

C14H25N3OS — CID 82457446

IUPAC2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC(C)(C)CC(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3OS/c1-13(2,3)9-14(4,5)17-10-7-12(19)16-11(15-10)8-18-6/h7H,8-9H2,1-6H3,(H2,15,16,17,19)
InChIKeyZFIKQHVQMHYZFX-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.91
Rot. Bonds5

About 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione

2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457446) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457446
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC(C)(C)CC(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3OS/c1-13(2,3)9-14(4,5)17-10-7-12(19)16-11(15-10)8-18-6/h7H,8-9H2,1-6H3,(H2,15,16,17,19)
InChIKeyZFIKQHVQMHYZFX-UHFFFAOYSA-N
XLogP3.91
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-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

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457446) is 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(NC(C)(C)CC(C)(C)C)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is ZFIKQHVQMHYZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-13(2,3)9-14(4,5)17-10-7-12(19)16-11(15-10)8-18-6/h7H,8-9H2,1-6H3,(H2,15,16,17,19).
What are the key properties of 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 283.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).