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

C7H12N4S — CID 13481192

IUPAC5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1[nH]cnc(=S)c1N
InChIInChI=1S/C7H12N4S/c1-4(2)11-6-5(8)7(12)10-3-9-6/h3-4H,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyGRGLAOPUGTVIFJ-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.54
Rot. Bonds2

About 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 13481192) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID13481192
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1[nH]cnc(=S)c1N
InChIInChI=1S/C7H12N4S/c1-4(2)11-6-5(8)7(12)10-3-9-6/h3-4H,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyGRGLAOPUGTVIFJ-UHFFFAOYSA-N
XLogP1.54
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 13481192) is 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is CC(C)Nc1[nH]cnc(=S)c1N.
What is the InChIKey of 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is GRGLAOPUGTVIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4(2)11-6-5(8)7(12)10-3-9-6/h3-4H,8H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 184.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 13481192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).