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

C11H19N3S — CID 82457273

IUPAC6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NC(C)(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-7(2)10-12-8(6-9(15)13-10)14-11(3,4)5/h6-7H,1-5H3,(H2,12,13,14,15)
InChIKeyMGUSPXKIGSQVBX-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.47
Rot. Bonds2

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

6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 82457273) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID82457273
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NC(C)(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-7(2)10-12-8(6-9(15)13-10)14-11(3,4)5/h6-7H,1-5H3,(H2,12,13,14,15)
InChIKeyMGUSPXKIGSQVBX-UHFFFAOYSA-N
XLogP3.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457149
2-methyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457157
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175
6-(tert-butylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457212
2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457219
6-(butan-2-ylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457233
2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457237
2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457245
6-amino-2-ethyl-1H-pyrimidine-4-thione
CID 82457263
6-(methylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457264
6-(ethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457265
2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457266

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione (CID 82457273) is 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(NC(C)(C)C)[nH]1.
What is the InChIKey of 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is MGUSPXKIGSQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)10-12-8(6-9(15)13-10)14-11(3,4)5/h6-7H,1-5H3,(H2,12,13,14,15).
What are the key properties of 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).