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

C8H13N3S — CID 82457087

IUPAC6-(butylamino)-1H-pyrimidine-4-thione
SMILESCCCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C8H13N3S/c1-2-3-4-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyGPTKUHVKZVQIBM-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.35
Rot. Bonds4

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

6-(butylamino)-1H-pyrimidine-4-thione (PubChem CID 82457087) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-(butylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(butylamino)-1H-pyrimidine-4-thione
PubChem CID82457087
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-(butylamino)-1H-pyrimidine-4-thione
SMILESCCCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C8H13N3S/c1-2-3-4-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyGPTKUHVKZVQIBM-UHFFFAOYSA-N
XLogP2.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
4-Pyrimidinethiol, 6-(methylamino)-
CID 23423875
6-(Dimethylamino)-4(3H)-pyrimidinethione
CID 119088143
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide
CID 90453906
N-ethyl-1,4-dihydropyrimidin-6-amine
CID 118973305
2-amino-6-(heptan-4-ylamino)-1H-pyrimidine-4-thione
CID 134569086
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
5-amino-6-(butylamino)-1H-pyrimidine-4-thione
CID 16640893
6-(Pyrrolidin-1-yl)pyrimidine-4-thiol
CID 33697875
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457078

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(butylamino)-1H-pyrimidine-4-thione (CID 82457087) is 6-(butylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(butylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(butylamino)-1H-pyrimidine-4-thione is CCCCNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(butylamino)-1H-pyrimidine-4-thione?
The InChIKey is GPTKUHVKZVQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-3-4-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 6-(butylamino)-1H-pyrimidine-4-thione?
6-(butylamino)-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).