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

C8H14N4S — CID 3668605

IUPAC2-amino-6-(butylamino)-1H-pyrimidine-4-thione
SMILESCCCCNc1cc(=S)nc(N)[nH]1
InChIInChI=1S/C8H14N4S/c1-2-3-4-10-6-5-7(13)12-8(9)11-6/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyAWZDAXGSRGUSGX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.93
Rot. Bonds4

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

2-amino-6-(butylamino)-1H-pyrimidine-4-thione (PubChem CID 3668605) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-amino-6-(butylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-6-(butylamino)-1H-pyrimidine-4-thione
PubChem CID3668605
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-amino-6-(butylamino)-1H-pyrimidine-4-thione
SMILESCCCCNc1cc(=S)nc(N)[nH]1
InChIInChI=1S/C8H14N4S/c1-2-3-4-10-6-5-7(13)12-8(9)11-6/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyAWZDAXGSRGUSGX-UHFFFAOYSA-N
XLogP1.93
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(butylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-6-(butylamino)-1H-pyrimidine-4-thione (CID 3668605) is 2-amino-6-(butylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-6-(butylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-6-(butylamino)-1H-pyrimidine-4-thione is CCCCNc1cc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(butylamino)-1H-pyrimidine-4-thione?
The InChIKey is AWZDAXGSRGUSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-3-4-10-6-5-7(13)12-8(9)11-6/h5H,2-4H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-6-(butylamino)-1H-pyrimidine-4-thione?
2-amino-6-(butylamino)-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(butylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 3668605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).