1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C15H16N6OS — CID 71808251

IUPAC1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1ccnc1-c1ncccn1)NCc1cccs1
InChIInChI=1S/C15H16N6OS/c22-15(20-11-12-3-1-10-23-12)19-7-9-21-8-6-18-14(21)13-16-4-2-5-17-13/h1-6,8,10H,7,9,11H2,(H2,19,20,22)
InChIKeyZPSPVAODJNBPKT-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.90
Rot. Bonds6

About 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71808251) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71808251
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1ccnc1-c1ncccn1)NCc1cccs1
InChIInChI=1S/C15H16N6OS/c22-15(20-11-12-3-1-10-23-12)19-7-9-21-8-6-18-14(21)13-16-4-2-5-17-13/h1-6,8,10H,7,9,11H2,(H2,19,20,22)
InChIKeyZPSPVAODJNBPKT-UHFFFAOYSA-N
XLogP1.90
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71808251) is 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCn1ccnc1-c1ncccn1)NCc1cccs1.
What is the InChIKey of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZPSPVAODJNBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-15(20-11-12-3-1-10-23-12)19-7-9-21-8-6-18-14(21)13-16-4-2-5-17-13/h1-6,8,10H,7,9,11H2,(H2,19,20,22).
What are the key properties of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 328.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71808251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).