1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea

C15H18N4OS — CID 19678089

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H18N4OS/c1-4-20-13-8-6-5-7-12(13)18-15(21)19-14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyAHGCQQNWLLSRJX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.30
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea

1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea (PubChem CID 19678089) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
PubChem CID19678089
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H18N4OS/c1-4-20-13-8-6-5-7-12(13)18-15(21)19-14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyAHGCQQNWLLSRJX-UHFFFAOYSA-N
XLogP3.30
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546227
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
CID 53488862
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23938189
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
1-[2-(difluoromethoxy)-5-methylphenyl]-3-(2-ethoxyphenyl)thiourea
CID 2205575
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652810
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092
[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium
CID 3256160
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea (CID 19678089) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea is CCOc1ccccc1NC(=S)Nc1nc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea?
The InChIKey is AHGCQQNWLLSRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-4-20-13-8-6-5-7-12(13)18-15(21)19-14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3,(H2,16,17,18,19,21).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea?
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea has a molecular weight of 302.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea is sourced from PubChem (CID 19678089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).