2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione

C11H19N3S — CID 82457234

IUPAC2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
SMILESCCCCCNc1cc(=S)nc(CC)[nH]1
InChIInChI=1S/C11H19N3S/c1-3-5-6-7-12-10-8-11(15)14-9(4-2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySTJNYBOTUKQTNS-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.30
Rot. Bonds6

About 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione

2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione (PubChem CID 82457234) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
PubChem CID82457234
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
SMILESCCCCCNc1cc(=S)nc(CC)[nH]1
InChIInChI=1S/C11H19N3S/c1-3-5-6-7-12-10-8-11(15)14-9(4-2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySTJNYBOTUKQTNS-UHFFFAOYSA-N
XLogP3.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.30
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-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457080
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457109
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
6-(cyclopentylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457163
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione (CID 82457234) is 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione is CCCCCNc1cc(=S)nc(CC)[nH]1.
What is the InChIKey of 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione?
The InChIKey is STJNYBOTUKQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-5-6-7-12-10-8-11(15)14-9(4-2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).