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

C10H17N3S — CID 82457266

IUPAC2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-6(2)10-12-8(11-7(3)4)5-9(14)13-10/h5-7H,1-4H3,(H2,11,12,13,14)
InChIKeyRFNHMJAGYSUXBL-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.08
Rot. Bonds3

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

2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457266) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457266
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-6(2)10-12-8(11-7(3)4)5-9(14)13-10/h5-7H,1-4H3,(H2,11,12,13,14)
InChIKeyRFNHMJAGYSUXBL-UHFFFAOYSA-N
XLogP3.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.08
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-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457291
6-(propan-2-ylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457323
6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457296
6-[(2-fluorophenyl)methylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457301
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
6-(3-fluorophenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515384
6-(2,3-difluorophenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518199
2-tert-butyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475305
6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457629
2-ethyl-6-(2-hydroxypropylamino)-1H-pyrimidine-4-thione
CID 82457231
2-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787677
6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106683063

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457266) is 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is CC(C)Nc1cc(=S)nc(C(C)C)[nH]1.
What is the InChIKey of 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is RFNHMJAGYSUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6(2)10-12-8(11-7(3)4)5-9(14)13-10/h5-7H,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).