1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea

C10H10N4O2S — CID 122301728

IUPAC1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
SMILESCOc1ncc(NC(=O)Nc2cccs2)cn1
InChIInChI=1S/C10H10N4O2S/c1-16-10-11-5-7(6-12-10)13-9(15)14-8-3-2-4-17-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyDWYSSHBUXKODSA-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea

1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea (PubChem CID 122301728) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
PubChem CID122301728
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
SMILESCOc1ncc(NC(=O)Nc2cccs2)cn1
InChIInChI=1S/C10H10N4O2S/c1-16-10-11-5-7(6-12-10)13-9(15)14-8-3-2-4-17-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyDWYSSHBUXKODSA-UHFFFAOYSA-N
XLogP2.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-thiophen-2-ylurea
CID 2814277
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
1-(4-hydroxyphenyl)-3-thiophen-2-ylurea
CID 108889117
1-(4-bromophenyl)-3-thiophen-2-ylurea
CID 108889102
1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157
1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 122301482
methyl 2-(thiophen-2-ylcarbamoylamino)benzoate
CID 3235857
1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
CID 20886027
1-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-3-thiophen-2-ylurea
CID 122297869
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
CID 108889171

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea (CID 122301728) is 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea is COc1ncc(NC(=O)Nc2cccs2)cn1.
What is the InChIKey of 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea?
The InChIKey is DWYSSHBUXKODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-10-11-5-7(6-12-10)13-9(15)14-8-3-2-4-17-8/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea?
1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea has a molecular weight of 250.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 122301728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).