(4-pyrimidin-2-ylphenyl)thiourea

C11H10N4S — CID 169356507

IUPAC(4-pyrimidin-2-ylphenyl)thiourea
SMILESNC(=S)Nc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H10N4S/c12-11(16)15-9-4-2-8(3-5-9)10-13-6-1-7-14-10/h1-7H,(H3,12,15,16)
InChIKeyBHDCDLYMWUEBSV-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.80
Rot. Bonds2

About (4-pyrimidin-2-ylphenyl)thiourea

(4-pyrimidin-2-ylphenyl)thiourea (PubChem CID 169356507) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is (4-pyrimidin-2-ylphenyl)thiourea.

Molecular Properties

Compound Name(4-pyrimidin-2-ylphenyl)thiourea
PubChem CID169356507
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name(4-pyrimidin-2-ylphenyl)thiourea
SMILESNC(=S)Nc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H10N4S/c12-11(16)15-9-4-2-8(3-5-9)10-13-6-1-7-14-10/h1-7H,(H3,12,15,16)
InChIKeyBHDCDLYMWUEBSV-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylphenyl)thiourea?
The IUPAC name of (4-pyrimidin-2-ylphenyl)thiourea (CID 169356507) is (4-pyrimidin-2-ylphenyl)thiourea.
What is the SMILES notation for (4-pyrimidin-2-ylphenyl)thiourea?
The canonical SMILES for (4-pyrimidin-2-ylphenyl)thiourea is NC(=S)Nc1ccc(-c2ncccn2)cc1.
What is the InChIKey of (4-pyrimidin-2-ylphenyl)thiourea?
The InChIKey is BHDCDLYMWUEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-11(16)15-9-4-2-8(3-5-9)10-13-6-1-7-14-10/h1-7H,(H3,12,15,16).
What are the key properties of (4-pyrimidin-2-ylphenyl)thiourea?
(4-pyrimidin-2-ylphenyl)thiourea has a molecular weight of 230.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylphenyl)thiourea is sourced from PubChem (CID 169356507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).