1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea

C10H16N4OS — CID 100559977

IUPAC1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea
SMILESCCOCCCNC(=S)Nc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-2-15-8-4-7-13-10(16)14-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H2,11,12,13,14,16)
InChIKeyILPYLBUMTKVYAN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.19
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea

1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea (PubChem CID 100559977) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea
PubChem CID100559977
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea
SMILESCCOCCCNC(=S)Nc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-2-15-8-4-7-13-10(16)14-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H2,11,12,13,14,16)
InChIKeyILPYLBUMTKVYAN-UHFFFAOYSA-N
XLogP1.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

1-(3-methoxypropyl)-3-pyrimidin-2-ylthiourea
CID 94830952
1-(3-propan-2-yloxypropyl)-3-pyrimidin-2-ylthiourea
CID 100559986
1-(3-ethoxypropyl)-3-[(3-ethyl-2-pyridinyl)methyl]thiourea
CID 116509693
1-(3-ethoxypropyl)-3-(6-ethoxy-3-pyridinyl)thiourea
CID 115687471
1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
CID 115590234
1-(3-ethoxypropyl)-3-isoquinolin-5-ylthiourea
CID 51558605
1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea
CID 19574620
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108834066
1-(4-bromo-3,5-dimethylphenyl)-3-(3-ethoxypropyl)thiourea
CID 103579626
1-[4-(4-ethoxyanilino)-6-methylpyrimidin-2-yl]-3-(3-ethoxypropyl)thiourea
CID 100565275
1-(3-ethoxypropyl)-3-(2,3,4-trifluorophenyl)thiourea
CID 115570464

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea (CID 100559977) is 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea is CCOCCCNC(=S)Nc1ncccn1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea?
The InChIKey is ILPYLBUMTKVYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-15-8-4-7-13-10(16)14-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H2,11,12,13,14,16).
What are the key properties of 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea?
1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea has a molecular weight of 240.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea is sourced from PubChem (CID 100559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).