1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea

C10H17N5S — CID 20557740

IUPAC1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea
SMILESCCNC(=S)NCCCNc1cnccn1
InChIInChI=1S/C10H17N5S/c1-2-12-10(16)15-5-3-4-13-9-8-11-6-7-14-9/h6-8H,2-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDQGPSLWBWICMOE-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.76
Rot. Bonds6

About 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea

1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea (PubChem CID 20557740) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea
PubChem CID20557740
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea
SMILESCCNC(=S)NCCCNc1cnccn1
InChIInChI=1S/C10H17N5S/c1-2-12-10(16)15-5-3-4-13-9-8-11-6-7-14-9/h6-8H,2-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDQGPSLWBWICMOE-UHFFFAOYSA-N
XLogP0.76
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.76
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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Related Compounds

ethane;N-ethylpyrazin-2-amine
CID 145154365
N-[4-[ethylamino(methyl)amino]butyl]pyrazin-2-amine
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CID 107845150
N-(3-methylsulfinylpropyl)pyrazin-2-amine
CID 115631383
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115570
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
2-(methylamino)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 119851728
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
CID 119851731
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea?
The IUPAC name of 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea (CID 20557740) is 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea?
The canonical SMILES for 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea is CCNC(=S)NCCCNc1cnccn1.
What is the InChIKey of 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea?
The InChIKey is DQGPSLWBWICMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-2-12-10(16)15-5-3-4-13-9-8-11-6-7-14-9/h6-8H,2-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea?
1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea has a molecular weight of 239.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(pyrazin-2-ylamino)propyl]thiourea is sourced from PubChem (CID 20557740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).