1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea

C10H18N6OS — CID 71383356

IUPAC1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1nc(NCC)nc(OCC)n1
InChIInChI=1S/C10H18N6OS/c1-4-11-7-13-8(16-10(18)12-5-2)15-9(14-7)17-6-3/h4-6H2,1-3H3,(H3,11,12,13,14,15,16,18)
InChIKeyBMXBGILFVFVFDD-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.01
Rot. Bonds6

About 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea

1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea (PubChem CID 71383356) has the molecular formula C10H18N6OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
PubChem CID71383356
Molecular FormulaC10H18N6OS
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1nc(NCC)nc(OCC)n1
InChIInChI=1S/C10H18N6OS/c1-4-11-7-13-8(16-10(18)12-5-2)15-9(14-7)17-6-3/h4-6H2,1-3H3,(H3,11,12,13,14,15,16,18)
InChIKeyBMXBGILFVFVFDD-UHFFFAOYSA-N
XLogP1.01
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523140
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea?
The IUPAC name of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea (CID 71383356) is 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea.
What is the SMILES notation for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea?
The canonical SMILES for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea is CCNC(=S)Nc1nc(NCC)nc(OCC)n1.
What is the InChIKey of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea?
The InChIKey is BMXBGILFVFVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6OS/c1-4-11-7-13-8(16-10(18)12-5-2)15-9(14-7)17-6-3/h4-6H2,1-3H3,(H3,11,12,13,14,15,16,18).
What are the key properties of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea?
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea has a molecular weight of 270.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea is sourced from PubChem (CID 71383356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).