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

C10H17N3S — CID 82457214

IUPAC6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione
SMILESCCCCNc1cc(=S)nc(CC)[nH]1
InChIInChI=1S/C10H17N3S/c1-3-5-6-11-9-7-10(14)13-8(4-2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyHJKXRCDVQPVBSK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.91
Rot. Bonds5

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

6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione (PubChem CID 82457214) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione
PubChem CID82457214
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione
SMILESCCCCNc1cc(=S)nc(CC)[nH]1
InChIInChI=1S/C10H17N3S/c1-3-5-6-11-9-7-10(14)13-8(4-2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyHJKXRCDVQPVBSK-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.91
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

5-amino-6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085361
N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
CID 134549537
6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
CID 143033433
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-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457109
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione (CID 82457214) is 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione is CCCCNc1cc(=S)nc(CC)[nH]1.
What is the InChIKey of 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione?
The InChIKey is HJKXRCDVQPVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-5-6-11-9-7-10(14)13-8(4-2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione?
6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).