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

C8H13N3S — CID 89041658

IUPAC6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione
SMILESCc1cc(NC(C)C)nc(=S)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)9-7-4-6(3)10-8(12)11-7/h4-5H,1-3H3,(H2,9,10,11,12)
InChIKeyUGUROETXYKTCIL-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.27
Rot. Bonds2

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

6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione (PubChem CID 89041658) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione
PubChem CID89041658
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione
SMILESCc1cc(NC(C)C)nc(=S)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)9-7-4-6(3)10-8(12)11-7/h4-5H,1-3H3,(H2,9,10,11,12)
InChIKeyUGUROETXYKTCIL-UHFFFAOYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione (CID 89041658) is 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione is Cc1cc(NC(C)C)nc(=S)[nH]1.
What is the InChIKey of 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione?
The InChIKey is UGUROETXYKTCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)9-7-4-6(3)10-8(12)11-7/h4-5H,1-3H3,(H2,9,10,11,12).
What are the key properties of 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione?
6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione has a molecular weight of 183.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione is sourced from PubChem (CID 89041658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).