6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione

C9H15N3S — CID 82457149

IUPAC6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC(C)(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-6-10-7(5-8(13)11-6)12-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyACSXRPCFDZVYEZ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.66
Rot. Bonds1

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

6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457149) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457149
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC(C)(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-6-10-7(5-8(13)11-6)12-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyACSXRPCFDZVYEZ-UHFFFAOYSA-N
XLogP2.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(tert-butylamino)-2-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

6-amino-2-methyl-4(3H)-Pyrimidinethione
CID 14242676
6-(tert-butylamino)-1H-pyrimidine-4-thione
CID 82457085
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
2-methyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457157
6-(tert-butylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457212
6-amino-2-ethyl-1H-pyrimidine-4-thione
CID 82457263
6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457273
6-amino-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457320
6-(tert-butylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457330
2-tert-butyl-6-(tert-butylamino)-1H-pyrimidine-4-thione
CID 82457386
6-(tert-butylamino)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 82457496

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione (CID 82457149) is 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NC(C)(C)C)[nH]1.
What is the InChIKey of 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is ACSXRPCFDZVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-10-7(5-8(13)11-6)12-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13).
What are the key properties of 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione?
6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).