6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione

C8H13N3S — CID 82457680

IUPAC6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1nc(=S)cc(N)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)3-7-10-6(9)4-8(12)11-7/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyUEHBKCVCXRCKRC-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.92
Rot. Bonds2

About 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione

6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 82457680) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID82457680
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1nc(=S)cc(N)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)3-7-10-6(9)4-8(12)11-7/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyUEHBKCVCXRCKRC-UHFFFAOYSA-N
XLogP1.92
TPSA54.70 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 ≤ 51.92
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-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 82457680) is 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1nc(=S)cc(N)[nH]1.
What is the InChIKey of 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is UEHBKCVCXRCKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)3-7-10-6(9)4-8(12)11-7/h4-5H,3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).